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beta-D-Galp-(1->4)-beta-D-Galp-(1->3)-alpha-D-GalpNAc

PropertiesImage
MNX_IDMNXM103090 Image of MNXM103090
referencechebi:68426
formulaC20H35NO16
global charge0
mol weight545.491
InChIKeyPQZXWXWLEXPPIT-VCSRLSTLSA-N
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-17(11(27)7(3-23)33-18(9)32)37-20-15(31)13(29)16(8(4-24)35-20)36-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H35NO16/c1-5(25)21-9-17(11(27)7(3-23)33-18(9)32)37-20-15(31)13(29)16(8(4-24)35-20)36-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1 Image of MNXM103090
SMILES (mnx)[CH3:1][C:5](=[N:21][C@@H:9]1[C@@H:17]([O:37][C@H:20]2[C@H:15]([OH:31])[C@@H:13]([OH:29])[C@@H:16]([O:36][C@H:19]3[C@H:14]([OH:30])[C@@H:12]([OH:28])[C@@H:10]([OH:26])[C@@H:6]([CH2:2][OH:22])[O:34]3)[C@@H:8]([CH2:4][OH:24])[O:35]2)[C@@H:11]([OH:27])[C@@H:7]([CH2:3][OH:23])[O:33][C@@H:18]1[OH:32])[OH:25]
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:68426
chebi:68426
PQZXWXWLEXPPIT-VCSRLSTLSA-N 		beta-D-Galp-(1->4)-beta-D-Galp-(1->3)-alpha-D-GalpNAc
Galbeta1-4Galbeta1-3GalNAcalpha
WURCS=2.0/2,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a3-b1_b4-c1
beta-D-Gal-(1->4)-beta-D-Gal-(1->3)-alpha-D-GalNAc
beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine

CHEBI:152843
chebi:152843
PQZXWXWLEXPPIT-SWHOEDMASA-N 		N-[(3R,4R,5R,6R)-4-[(2R,3R,4R,5R,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Gal(b1-4)Gal(b1-3)GalNAc
WURCS=2.0/2,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a3-b1_b4-c1
beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose