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

PropertiesImage
MNX_IDMNXM103120 Image of MNXM103120
referencechebi:65179
formulaC12H22O14S
global charge0
mol weight422.361
InChIKeyZMPFTLRVVIHHOO-QFKDBGNMSA-N
InChIInChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
SMILESO=S(=O)(O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1 Image of MNXM103120
SMILES (mnx)[CH2:1]([C@@H:3]1[C@H:5]([OH:15])[C@H:10]([O:26][S:27]([OH:20])(=[O:21])=[O:22])[C@@H:8]([OH:18])[C@H:12]([O:25][C@@H:9]2[C@@H:4]([CH2:2][OH:14])[O:23][C@@H:11]([OH:19])[C@H:7]([OH:17])[C@H:6]2[OH:16])[O:24]1)[OH:13]
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:65179
chebi:65179
ZMPFTLRVVIHHOO-QFKDBGNMSA-N 		beta-D-Galp3S-(1->4)-beta-D-Glcp
(3S)Galb1-4Glcb
(3S)Galbeta1-4Glcbeta
3-O-sulfo-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
3-O-sulfo-beta-D-galactosyl-(1->4)-beta-D-glucose
4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose
WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
[3OSO3]Galbeta1-4Glcbeta
beta-D-Gal3S-(1->4)-beta-D-Glc
beta-D-glucopyranose, 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-

CHEBI:148919
chebi:148919
ZMPFTLRVVIHHOO-IHGBBDFJSA-N 		D-Galp3S-(1->4)-D-Glcp
3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
4-O-(3-O-sulfo-D-galactopyranosyl)-D-glucopyranose
Gal3S(?1-4)Glc
WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1x_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
[(2R,3S,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate

CHEBI:152485
chebi:152485
ZMPFTLRVVIHHOO-YAEJXKJKSA-N 		beta-D-Galp3S-(1->4)-D-Glcp
3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
4-O-(3-O-sulfo-beta-D-galactopyranosyl)-D-glucopyranose
Gal3S(b1-4)Glc
WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate