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UDP-N-acetyl-alpha-D-galactosamine

AlkaPlorer ID: AK000741

Synonym: '', 'N-acetylglucosamine', 'UDP-N-acetyl-alpha-D-glucosamine(2-)', 'UDP-N-acetyl-D-galactosamine dianion', 'URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE', 'UDP-N-acetyl-alpha-D-mannosamine', 'URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE', 'UDP-N-acetyl-alpha-D-glucosamine', 'Uridine diphosphate-N-acetylglucosamine', 'uridine diphosphate N-acetylmannosamine', 'UDP-N-acetyl-D-galactosamine', 'UDP-GlcNAc', 'UDP-N-acetyl-alpha-D-glucosamine dianion', 'UDP-N-acetyl-D-galactosamine(2-)', 'UDP-ManNAc', 'UDP-N-acetylglucosamine', '(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl dihydrogen diphosphate (non-preferred name)', 'UDP-N-acetyl-D-mannosamine', 'UDP-N-acetyl-D-glucosamine', 'UDP-acetylmannosamine', 'UDP-GalNac', '(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl dihydrogen diphosphate (non-preferred name)'

IUPAC Name: [(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Structure

SMILES: CC(O)=N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

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InChI: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16?/m1/s1

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InChIKey: LFTYTUAZOPRMMI-LDDHHVEYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Daphnia pulex Daphnia Daphniidae Diplostraca Branchiopoda Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 607.3550000000004

TPSA？: 309.61

MolLogP？: -3.397299999999998

Number of H-Donors: 9

Number of H-Acceptors: 17

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT003218 CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O.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(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O enzymemap_49318
AKRT003231 CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O>>CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O enzymemap_49318
AKRT003232 CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O>>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 enzymemap_49318
AKRT003233 CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O>>CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O enzymemap_57907
AKRT003234 CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H]1O>>CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O enzymemap_58064