Molecule

pantothenate

AlkaPlorer ID: AK001570

Synonym: '', 'PANTOTHENOIC ACID', 'pantothenic acid', '(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-)', '(+)-Pantothenic acid', '(R)-Pantothenate', 'D-(+)-pantothenic acid', '(R)-pantothenate', 'N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate', 'vitamin B5', '(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine', 'chick antidermatitis factor', 'N-(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl-beta-alanine', 'N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine', 'pantothenate', 'D-pantothenic acid', 'D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine', 'Pantothenic acid', '(R)-pantothenic acid'

IUPAC Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate

Structure

SMILES: CC(C)(CO)[C@@H](O)C(O)=NCCC(=O)[O-]

InChI: InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1

InChIKey: GHOKWGTUZJEAQD-ZETCQYMHSA-M

Reference

AtMetExpress Development: A Phytochemical Atlas of Arabidopsis Development

PubChem CID: 167945

CAS: 23826-84-8

LOTUS: LTS0137405

SuperNatural Ⅲ: SN0105946-02

NPASS: NPC60151

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Panax ginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lycium chinense	Lycium	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Ginkgo biloba	Ginkgo	Ginkgoaceae	Ginkgoales	Ginkgoopsida	Streptophyta	Viridiplantae	Eukaryota
Cocos nucifera	Cocos	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ananas comosus	Ananas	Bromeliaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pastinaca sativa	Pastinaca	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rubus idaeus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asparagus officinalis	Asparagus	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lepidium sativum	Lepidium	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vaccinium vitis-idaea	Vaccinium	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tamarindus indica	Tamarindus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melanogrammus aeglefinus	Melanogrammus	Gadidae	Gadiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Anemarrhena asphodeloides	Anemarrhena	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vaccinium myrtillus	Vaccinium	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phoenix dactylifera	Phoenix	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artocarpus heterophyllus	Artocarpus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Limanda limanda	Limanda	Pleuronectidae	Pleuronectiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Prunus avium	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Psidium guajava	Psidium	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Papaver somniferum	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pisum sativum	Pisum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ribes uva-crispa	Ribes	Grossulariaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Averrhoa carambola	Averrhoa	Oxalidaceae	Oxalidales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vaccinium macrocarpon	Vaccinium	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona reticulata	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bos taurus	Bos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Spinacia oleracea	Spinacia	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ribes nigrum	Ribes	Grossulariaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Armoracia rusticana	Armoracia	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cichorium intybus	Cichorium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper nigrum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea batatas	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nephrops norvegicus	Nephrops	Nephropidae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota
Fagopyrum esculentum	Fagopyrum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mentha x piperita	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus reticulata	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum tuberosum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hippoglossus hippoglossus	Hippoglossus	Pleuronectidae	Pleuronectiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Lepus timidus	Lepus	Leporidae	Lagomorpha	Mammalia	Chordata	Metazoa	Eukaryota
Prunus cerasus	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lens culinaris	Lens	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cichorium endivia	Cichorium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica rapa	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artocarpus altilis	Artocarpus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anacardium occidentale	Anacardium	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Secale cereale	Secale	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Musa x paradisiaca	Musa	Musaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carya illinoinensis	Carya	Juglandaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mentha spicata	Mentha	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Abelmoschus esculentus	Abelmoschus	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sesamum indicum	Sesamum	Pedaliaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Petroselinum crispum	Petroselinum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Oryza sativa	Oryza	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zingiber officinale	Zingiber	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mangifera indica	Mangifera	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pyrus communis	Pyrus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pistacia vera	Pistacia	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium ampeloprasum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Daucus carota	Daucus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malus pumila	Malus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rheum rhabarbarum	Rheum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium schoenoprasum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anarhichas lupus	Anarhichas	Anarhichadidae	Perciformes	Actinopteri	Chordata	Metazoa	Eukaryota
Phaseolus vulgaris	Phaseolus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cucumis sativus	Cucumis	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anthriscus cerefolium	Anthriscus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Squalus acanthias	Squalus	Squalidae	Squaliformes	Chondrichthyes	Chordata	Metazoa	Eukaryota
Cydonia oblonga	Cydonia	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Apium graveolens	Apium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus domestica	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Glycine max	Glycine	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pimpinella anisum	Pimpinella	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Persea americana	Persea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium sativum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sus scrofa	Sus	Suidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Vitis vinifera	Vitis	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Belone belone	Belone	Belonidae	Beloniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Musa acuminata	Musa	Musaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica oleracea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ocimum basilicum	Ocimum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coriandrum sativum	Coriandrum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agaricus bisporus	Agaricus	Agaricaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Manihot esculenta	Manihot	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malpighia emarginata	Malpighia	Malpighiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Reinhardtius hippoglossoides	Reinhardtius	Pleuronectidae	Pleuronectiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Microstomus kitt	Microstomus	Pleuronectidae	Pleuronectiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Ribes rubrum	Ribes	Grossulariaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carica papaya	Carica	Caricaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arachis hypogaea	Arachis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus sinensis	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thymus vulgaris	Thymus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona cherimola	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Avena sativa	Avena	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rumex acetosa	Rumex	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus armeniaca	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Punica granatum	Punica	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Camellia sinensis	Camellia	Theaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus x paradisi	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helianthus tuberosus	Helianthus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anethum graveolens	Anethum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus dulcis	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum melongena	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bertholletia excelsa	Bertholletia	Lecythidaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Syzygium aromaticum	Syzygium	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ficus carica	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capparis spinosa	Capparis	Capparaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 218.229

TPSA？: 113.18

MolLogP？: -1.5376999999999987

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Bile salt export pump	IC50	1000000.0	nM	10.1124/dmd.112.047068
Homo sapiens	Histone deacetylase 6	Inhibition	-7.48	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-6.63	%	10.6019/CHEMBL4808148
Mus musculus	Solute carrier family 22 member 6	Activity	nan	None	10.1074/jbc.274.3.1519
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 /JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)	Type III pantothenate kinase	Kcat	0.39	/s	10.1016/j.bmc.2018.10.042
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 /JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)	Type III pantothenate kinase	Km	20000.0	nM	10.1016/j.bmc.2018.10.042
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 /JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)	Type III pantothenate kinase	Ratio	20.0	/mM/s	10.1016/j.bmc.2018.10.042
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	10.25	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.1559	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-8.78	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.01	%	10.6019/CHEMBL4495565
Staphylococcus aureus (strain MSSA476)	Type II pantothenate kinase	Kcat	2.16	/s	10.1016/j.bmc.2018.10.042
Staphylococcus aureus (strain MSSA476)	Type II pantothenate kinase	Km	19000.0	nM	10.1016/j.bmc.2018.10.042
Staphylococcus aureus (strain MSSA476)	Type II pantothenate kinase	Ratio	115.0	/mM/s	10.1016/j.bmc.2018.10.042
None	No relevant target	LogP	-1.69	None	10.1016/j.ejmech.2007.05.007
None	Phospholipidosis	Phospholipidosis	nan	None	10.1080/15376510701857262
None	Unchecked	Kcat	1.29	/s	10.1016/j.bmc.2018.10.042
None	Unchecked	Km	17000.0	nM	10.1016/j.bmc.2018.10.042
None	Unchecked	Kq	1.02	10'13L/mol/s	10.1016/j.ejmech.2011.10.016
None	Unchecked	Kq	1.28	10'5L/mol	10.1016/j.ejmech.2011.10.016
None	Unchecked	Kq	5.27	10'4L/mol	10.1016/j.ejmech.2011.10.016
None	Unchecked	Kq	8.03	10'12L/mol/s	10.1016/j.ejmech.2011.10.016
None	Unchecked	KSV	1.04	10'5L/mol	10.1016/j.ejmech.2011.10.016
None	Unchecked	KSV	8.05	10'4L/mol	10.1016/j.ejmech.2011.10.016
None	Unchecked	Ratio	76.0	/mM/s	10.1016/j.bmc.2018.10.042

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT004852	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	R02973
AKRT004853	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.NCCS	None
AKRT004859	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.N=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.N=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	None
AKRT004860	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1	None
AKRT004861	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	None
AKRT004862	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)(CO)[C@@H](OP(=O)(O)O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT004863	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT004864	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1	None
AKRT004865	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	None
AKRT004866	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O>>CC(C)(CO)C(O)C(=O)O	enzymemap_76883
AKRT004867	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(=O)O	R02474
AKRT004868	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O>>CC(C)(CO)[C@@H](OP(=O)(O)O)C(=O)NCCC(=O)O	enzymemap_44540
AKRT004869	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O>>CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O	PANTOTHENATE-KIN-RXN
AKRT004870	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O>>NCCC(=O)O	R02474
AKRT004872	CC(C)(CO)[C@@H](O)C(=O)NCCCO>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	R03927
AKRT004875	CC(C)(CO)[C@@H](O)C(=O)O.NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	PANTOATE-BETA-ALANINE-LIG-RXN
AKRT004906	CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	68332
AKRT006842	CC1(C)COC(=O)[C@@H]1O.NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	RXN-6401
AKRT009541	CCCOC(=O)CCNC(=O)[C@H](O)C(C)(C)CO>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	enzymemap_51404
AKRT009706	CCOC(=O)CCNC(=O)[C@H](O)C(C)(C)CO>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	enzymemap_51402
AKRT011030	COC(=O)CCNC(=O)[C@H](O)C(C)(C)CO>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	enzymemap_51400
AKRT014007	C[C@H](OS(=O)(=O)O)[C@@H]1C(=O)N2C(C(=O)O)=C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)C[C@H]12>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	R10752
AKRT014874	Cc1cc(=O)oc2cc(NC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)ccc12>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O	enzymemap_78172
AKRT014875	Cc1cc(=O)oc2cc(NC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)ccc12>>CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.Cc1cc(=O)oc2cc(N)ccc12	None