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UDP-N-acetyl-alpha-D-galactosamine 4-sulfate

PropertiesImage
MNX_IDMNXM4128 Image of MNXM4128
referencechebi:132114
formulaC17H24N3O20P2S
global charge-3
mol weight684.395
InChIKeyITVFJXYJMFKBES-ACMLXWNCSA-K
InChIInChI=1S/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/p-3/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](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](OS(=O)(=O)[O-])[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1 Image of MNXM4128
SMILES (mnx)[CH3:1][C:6](=[N:18][C@@H:10]1[C@@H:12]([OH:25])[C@@H:14]([O:39][S:43]([OH:32])(=[O:33])=[O:34])[C@@H:7]([CH2:4][OH:21])[O:37][C@@H:16]1[O:38][P:42]([OH:30])(=[O:31])[O:40][P:41]([OH:28])(=[O:29])[O:35][CH2:5][C@@H:8]1[C@@H:11]([OH:24])[C@@H:13]([OH:26])[C@H:15]([N:20]2[CH:3]=[CH:2][C:9]([OH:23])=[N:19][C:17]2=[O:27])[O:36]1)[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132114
chebi:132114
ITVFJXYJMFKBES-ACMLXWNCSA-K 		UDP-N-acetyl-alpha-D-galactosamine 4-sulfate
UDP-N-acetyl-alpha-D-galactosamine 4-sulfate(3-)

metacyc.compound:UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE
metacycM:UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE
seed.compound:cpd02702
seedM:cpd02702
kegg.compound:C04426
keggC:C04426
ITVFJXYJMFKBES-ACMLXWNCSA-K
ITVFJXYJMFKBES-ACMLXWNCSA-N
ITVFJXYJMFKBES-RXKPRGQLSA-K 		UDP-N-acetyl-D-galactosamine 4-sulfate

CHEBI:58188
chebi:58188
ITVFJXYJMFKBES-RXKPRGQLSA-K 		UDP-N-acetyl-D-galactosamine 4-sulfate(3-)
UDP-N-acetyl-D-galactosamine 4-sulfate trianion
uridine 5'-[3-(2-acetamido-2-deoxy-4-O-sulfonato-D-galactopyranosyl) diphosphate]

vmhM:udpagal4s
vmhmetabolite:udpagal4s
ITVFJXYJMFKBES-ACMLXWNCSA-N 		UDP-N-acetyl-D-galactosamine 4-sulfate
[({[(2R,3S,4R,5R)-3-[({[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxy}sulfonyl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydr

CHEBI:17550
chebi:17550
ITVFJXYJMFKBES-RXKPRGQLSA-N 		UDP-N-acetyl-D-galactosamine 4-sulfate
uridine 5'-[3-(2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate]

CHEBI:132804
chebi:132804
ITVFJXYJMFKBES-ACMLXWNCSA-N 		UDP-N-acetyl-alpha-D-galactosamine 4-sulfate
UDP-N-acetyl-D-galactosamine 4-sulfate
Udp-Ga1NAc-S
Udp-N-acetylgalactosamine 4-sulfate
Uridine diphosphate-N-acetylgalactosamine 4-sulfate

chebi:13472
chebi:22114
chebi:9822
keggC:M_C04426
seedM:M_cpd02702
vmhM:M_udpagal4s 		secondary/obsolete/fantasy identifier