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beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc

PropertiesImage
MNX_IDMNXM103113 Image of MNXM103113
referencechebi:65150
formulaC14H25NO14S
global charge0
mol weight463.414
InChIKeyJWSDQIUWYOEXRI-DFCCJNKBSA-N
InChIInChI=1S/C14H25NO14S/c1-4(18)15-7-11(8(19)5(2-16)26-13(7)22)28-14-10(21)12(29-30(23,24)25)9(20)6(3-17)27-14/h5-14,16-17,19-22H,2-3H2,1H3,(H,15,18)(H,23,24,25)/t5-,6-,7-,8+,9+,10-,11-,12+,13+,14+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H25NO14S/c1-4(18)15-7-11(8(19)5(2-16)26-13(7)22)28-14-10(21)12(29-30(23,24)25)9(20)6(3-17)27-14/h5-14,16-17,19-22H,2-3H2,1H3,(H,15,18)(H,23,24,25)/t5-,6-,7-,8+,9+,10-,11-,12+,13+,14+/m1/s1 Image of MNXM103113
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:7]1[C@@H:11]([O:28][C@H:14]2[C@H:10]([OH:21])[C@@H:12]([O:29][S:30]([OH:23])(=[O:24])=[O:25])[C@@H:9]([OH:20])[C@@H:6]([CH2:3][OH:17])[O:27]2)[C@@H:8]([OH:19])[C@@H:5]([CH2:2][OH:16])[O:26][C@@H:13]1[OH:22])[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65150
chebi:65150
JWSDQIUWYOEXRI-DFCCJNKBSA-N 		beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc
2-(acetylamino)-2-deoxy-3-O-(3-O-sulfo-beta-D-galactopyranosyl)-alpha-D-galactopyranose
2-acetamido-2-deoxy-3-O-(3-O-sulfo-beta-D-galactopyranosyl)-alpha-D-galactopyranose
3-O-sulfo-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
3-O-sulfo-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine
[3OSO3]Galbeta1-3GalNAcalpha
alpha-D-galactopyranose, 2-(acetylamino)-2-deoxy-3-O-(3-O-sulfo-beta-D-galactopyranosyl)-
beta-D-Gal3S-(1->3-)-alpha-D-GalNAc