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N-acetyl-beta-D-galactosamine 6-sulfate

PropertiesImage
MNX_IDMNXM5834 Image of MNXM5834
referencechebi:63270
formulaC8H14NO9S
global charge-1
mol weight300.265
InChIKeyWJFVEEAIYIOATH-JAJWTYFOSA-M
InChIInChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/p-1/t4-,5-,6+,7-,8-/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1 Image of MNXM5834
SMILES (mnx)[CH3:1][C:3](=[N:9][C@@H:5]1[C@@H:7]([OH:12])[C@@H:6]([OH:11])[C@@H:4]([CH2:2][O:17][S:19]([OH:14])(=[O:15])=[O:16])[O:18][C@H:8]1[OH:13])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63270
chebi:63270
WJFVEEAIYIOATH-JAJWTYFOSA-M 		N-acetyl-beta-D-galactosamine 6-sulfate
2-(acetylamino)-2-deoxy-6-O-sulfonato-beta-D-galactopyranose
2-acetamido-2-deoxy-6-O-sulfonato-beta-D-galactopyranose
N-acetyl-beta-D-galactosamine 6-sulfate(1-)
beta-D-GalpNAc6S(1-)

kegg.compound:C04255
keggC:C04255
WJFVEEAIYIOATH-JAJWTYFOSA-N 		N-Acetyl-D-galactosamine 6-sulfate

seed.compound:cpd02610
seedM:cpd02610
WJFVEEAIYIOATH-JAJWTYFOSA-M 		N-Acetyl-D-galactosamine 6-sulfate
N-acetyl-D-galactosamine 6-O-sulfate
N-acetyl-D-galactosamine 6-sulfate
beta-N-acetyl-D-galactosamine 6-O-sulfate
beta-N-acetyl-D-galactosamine 6-sulfate

CHEBI:153064
chebi:153064
WJFVEEAIYIOATH-KEWYIRBNSA-M 		N-acetyl-D-6-sulfogalactosamine
N-acetyl-D-6-sulfogalactosamine(1-)

metacyc.compound:CPD-12565
metacycM:CPD-12565
WJFVEEAIYIOATH-KEWYIRBNSA-M 		N-acetyl-D-galactosamine 6-O-sulfate
N-acetyl-D-galactosamine 6-sulfate

CHEBI:44395
chebi:44395
WJFVEEAIYIOATH-JAJWTYFOSA-N 		N-acetyl-beta-D-galactosamine 6-sulfate
2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose
2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
beta-D-GalpNAc6S

chebi:44380
chebi:44392
keggC:M_C04255
seedM:M_cpd02610 		secondary/obsolete/fantasy identifier