Molecule

Dihydrospingosine

AlkaPlorer ID: AK003328

Synonym: None

IUPAC Name: (2S,3R)-2-aminooctadecane-1,3-diol

Structure

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO

InChI: InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1

InChIKey: OTKJDMGTUTTYMP-ZWKOTPCHSA-N

Reference

Final structure of caulerpicin, a toxin mixture from the green alga Caulerpa racemosa

PubChem CID: 176017058

CAS: 764-22-7

LOTUS: LTS0169156

SuperNatural Ⅲ: SN0274794-04

NPASS: NPC324250

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Haliclona koremella	Haliclona	Chalinidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 301.515

TPSA？: 66.48

MolLogP？: 4.148200000000003

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Anagnostidinema amphibium	Anagnostidinema amphibium	Activity	nan	None	10.1021/np970527y
Bacillus anthracis	Anthrax lethal factor	Potency	12589.3	nM	None
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	44668.4	nM	None
Brachiomonas submarina	Brachiomonas submarina	Activity	nan	None	10.1021/np970527y
Candida albicans	Candida albicans	Activity	nan	None	10.1016/j.bmcl.2008.05.067
Candida albicans	Candida albicans	MFC	5.0	ug ml-1	10.1016/j.bmcl.2008.05.067
Chlorocebus sabaeus	Vero	IC50	25000.0	nM	None
Homo sapiens	Arachidonate 15-lipoxygenase, type II	Potency	3162.3	nM	None
Homo sapiens	Ataxin-2	Potency	39810.7	nM	None
Homo sapiens	Beta-glucocerebrosidase	Potency	17782.8	nM	None
Homo sapiens	Beta-glucocerebrosidase	Potency	22387.2	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	31622.8	nM	None
Homo sapiens	Cholesteryl ester transfer protein	IC50	12900.0	nM	10.1016/S0960-894X(97)00248-5
Homo sapiens	Cytochrome P450 1A2	AC50	25118.86	nM	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	7943.28	nM	None
Homo sapiens	Cytochrome P450 2D6	Potency	7943.3	nM	None
Homo sapiens	Cytochrome P450 3A4	AC50	31622.78	nM	None
Homo sapiens	Cytochrome P450 3A4	Potency	31622.8	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	63.1	nM	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	19952.6	nM	None
Homo sapiens	Geminin	Potency	29092.9	nM	None
Homo sapiens	HeLa	GI50	15000.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	Histone acetyltransferase GCN5	Potency	28183.8	nM	None
Homo sapiens	Histone deacetylase 6	Inhibition	3.58	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	25.96	%	10.6019/CHEMBL4808148
Homo sapiens	Huntingtin	Potency	25118.9	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	18356.4	nM	None
Homo sapiens	Jurkat	IC50	3530.0	nM	10.1074/jbc.m609124200
Homo sapiens	Jurkat	IC50	3680.0	nM	10.1074/jbc.m609124200
Homo sapiens	Jurkat	IC50	4900.0	nM	10.1074/jbc.m609124200
Homo sapiens	Jurkat	IC50	6310.0	nM	10.1074/jbc.m609124200
Homo sapiens	Jurkat	Ratio IC50	1.3	None	10.1074/jbc.m609124200
Homo sapiens	Jurkat	Ratio IC50	1.4	None	10.1074/jbc.m609124200
Homo sapiens	Jurkat	Ratio IC50	1.8	None	10.1074/jbc.m609124200
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	39810.7	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	39810.7	nM	None
Homo sapiens	P-glycoprotein 1	Activity	nan	None	10.1271/bbb.68.2541
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	10000.0	nM	None
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	31622.8	nM	None
Homo sapiens	Sphingomyelin phosphodiesterase	Potency	89125.1	nM	None
Homo sapiens	SW1573	GI50	4500.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	T47D	GI50	22000.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	TAR DNA-binding protein 43	Potency	7079.5	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	0.6	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	11582.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	12995.3	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	16360.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	21136.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	23109.3	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	31622.8	nM	None
Homo sapiens	Ubiquitin-conjugating enzyme E2 N	IC50	13378.0	nM	None
Homo sapiens	Ubiquitin-conjugating enzyme E2 N	IC50	15487.0	nM	None
Homo sapiens	Vitamin D receptor	Potency	70794.6	nM	None
Homo sapiens	WiDr	GI50	19000.0	nM	10.1016/j.ejmech.2015.03.046
Mus musculus	Bcl-2-related protein A1	IC50	20000.0	nM	None
Mus musculus	FL5.12	Activity	38.0	None	10.1016/j.bmc.2016.07.038
Mus musculus	FL5.12	Activity	47.0	%	10.1016/j.bmc.2016.07.038
Mus musculus	FL5.12	IC50	3500.0	nM	10.1016/j.bmc.2016.07.038
Mycobacterium tuberculosis	Acyl-CoA synthase	AC50	5600.0	nM	None
Nakaseomyces glabratus	Nakaseomyces glabratus	MFC	1.0	ug ml-1	10.1016/j.bmcl.2008.05.067
Plasmodium falciparum	Plasmodium falciparum	IC50	10000.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	12589.25	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	Potency	13115.4	nM	None
Prorocentrum micans	Prorocentrum micans	Activity	nan	None	10.1021/np970527y
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	100000.0	nM	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	-7.653	%	10.6019/CHEMBL4495564
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	-0.08	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.09	%	10.21203/rs.3.rs-23951/v1
Streptococcus	Streptococcus	EC50	8911.0	nM	None
Streptococcus pyogenes serotype M1	Streptokinase A	EC50	2204.0	nM	None
Streptococcus pyogenes serotype M1	Streptokinase A	EC50	150000.0	nM	None
Streptococcus sp. 'group A'	Streptococcus sp. 'group A'	EC50	1338.0	nM	None
Trypanosoma cruzi	Cruzipain	Potency	17782.8	nM	None
Trypanosoma cruzi	Cruzipain	Potency	39810.7	nM	None
None	Leukemia 60 cell line	GC50	0.49	uM	10.1016/s0960-894x(99)00574-0
None	Leukemia 60 cell line	TC50	2.55	uM	10.1016/s0960-894x(99)00574-0
None	NON-PROTEIN TARGET	GI50	25000.0	nM	10.1016/j.ejmech.2015.03.046
None	Unchecked	EC50	7582.0	nM	None
None	Unchecked	EC50	8665.0	nM	None
None	Unchecked	EC50	9930.0	nM	None
None	Unchecked	EC50	14000.0	nM	None
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873
None	Unchecked	Potency	398.1	nM	None
None	Unchecked	Potency	25118.9	nM	None
None	Unchecked	Potency	28183.8	nM	None
None	Unchecked	Potency	35481.3	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000139	*C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	RXN-13733
AKRT000459	C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	RXN-7792
AKRT004508	CC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O	36719
AKRT007579	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	45376
AKRT008143	CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	enzymemap_76976
AKRT008150	CCCCCCCC/C=C/CCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	enzymemap_76969
AKRT008178	CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	45372
AKRT008383	CCCCCCCC/C=C\CCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36575
AKRT008396	CCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	45360
AKRT008400	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	64048
AKRT008414	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	None
AKRT008417	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36667
AKRT008419	CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36671
AKRT008675	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	MNXR191195
AKRT008872	CCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC	None
AKRT008877	CCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC	36571
AKRT008892	CCCCCCCCCCCCCCC(O)C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCCCCCC	36647
AKRT008894	CCCCCCCCCCCCCCCC(=O)C(N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	enzymemap_678
AKRT008912	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	enzymemap_76927
AKRT008920	CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	43440
AKRT009037	CCCCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	None
AKRT009046	CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	3-DEHYDROSPHINGANINE-REDUCTASE-RXN
AKRT009056	CCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	RXN-20367
AKRT009080	CCCCCCCCCCCCCCCCC(O)C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36615
AKRT009087	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	45008
AKRT009155	CCCCCCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	None
AKRT009159	CCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	RXN-20366
AKRT009185	CCCCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36555
AKRT009192	CCCCCCCCCCCCCCCCCCCCC(O)C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36619
AKRT009201	CCCCCCCCCCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	None
AKRT009202	CCCCCCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36535
AKRT009207	CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36627
AKRT009211	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	33843
AKRT009217	CCCCCCCCCCCCCCCCCCCCCCCC(=O)[32S].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	None
AKRT009219	CCCCCCCCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	33591
AKRT009223	CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	33491
AKRT009228	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	33351
AKRT009232	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[CoA].CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC	36675
AKRT009273	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT009274	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.O=C(O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12	enzymemap_76910
AKRT009275	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.O=C([CoA])CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	RXN-20387
AKRT009276	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	enzymemap_38037
AKRT009277	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	43408
AKRT009278	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O	SPHINGANINE-KINASE-RXN
AKRT009279	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO	R06525
AKRT009282	CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	DHS-PHOSPHATASE-RXN
AKRT009287	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	38887
AKRT009289	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	MNXR129591
AKRT009290	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	45448
AKRT009291	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	enzymemap_76910
AKRT009294	CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O>>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO	33551