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D-galactosyl-N-acetyl-beta-D-galactosamine

PropertiesImage
MNX_IDMNXM1107921 Image of MNXM1107921
referencechebi:18113
formulaC14H25NO11
global charge0
mol weight383.35
InChIKeyHMQPEDMEOBLSQB-LSHHYBMRSA-N
InChIInChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14?/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14?/m1/s1 Image of MNXM1107921
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:7]1[C@@H:12]([O:26][CH:14]2[C@H:11]([OH:22])[C@@H:10]([OH:21])[C@@H:8]([OH:19])[C@@H:5]([CH2:2][OH:16])[O:25]2)[C@@H:9]([OH:20])[C@@H:6]([CH2:3][OH:17])[O:24][C@H:13]1[OH:23])[OH:18]
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:18113
chebi:18113
HMQPEDMEOBLSQB-LSHHYBMRSA-N 		D-galactosyl-N-acetyl-beta-D-galactosamine
2-acetamido-2-deoxy-3-O-D-galactopyranosyl-beta-D-galactopyranose
D-Galactosyl-3-N-acetyl-beta-D-galactosamine
D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranose
D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine

sabiork.compound:7434
sabiorkM:7434
HMQPEDMEOBLSQB-LSHHYBMRSA-N 		D-Galactosyl-3-N-acetyl-beta-D-galactosamine
Gal-beta1->3GalNAc

chebi:12945
chebi:20968
chebi:4147 		secondary/obsolete/fantasy identifier