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beta-D-Galp3S-(1->4)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM103122 Image of MNXM103122
referencechebi:65178
formulaC14H25NO14S
global charge0
mol weight463.414
InChIKeyOBGZWGPQQVKGMA-ZPXFZQJSSA-N
InChIInChI=1S/C14H25NO14S/c1-4(18)15-7-9(20)11(6(3-17)26-13(7)22)28-14-10(21)12(29-30(23,24)25)8(19)5(2-16)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](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H25NO14S/c1-4(18)15-7-9(20)11(6(3-17)26-13(7)22)28-14-10(21)12(29-30(23,24)25)8(19)5(2-16)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 MNXM103122
SMILES (mnx)[CH3:1][C:4](=[N:15][C@@H:7]1[C@@H:9]([OH:20])[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:8]([OH:19])[C@@H:5]([CH2:2][OH:16])[O:27]2)[C@@H:6]([CH2:3][OH:17])[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:65178
chebi:65178
OBGZWGPQQVKGMA-ZPXFZQJSSA-N 		beta-D-Galp3S-(1->4)-beta-D-GlcpNAc
(3S)Galb1-4GlcNAcb
(3S)Galbeta1-4GlcNAcbeta
2-(acetylamino)-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose
2-acetamido-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose
3-O-sulfo-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
3-O-sulfo-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
[3OSO3]Galbeta1-4GlcNAcbeta
beta-D-Gal3S-(1->4)-beta-D-GlcNAc
beta-D-glucopyranose, 2-(acetylamino)-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-

CHEBI:147626
chebi:147626
OBGZWGPQQVKGMA-KMJSDMRTSA-N 		beta-D-Galp3S-(1->4)-D-GlcpNAc
2-acetamido-2-deoxy-4-O-(3-O-sulfo-beta-D-galactopyranosyl)-D-glucopyranose
3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
Gal3S(b1-4)GlcNAc
WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate