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beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

PropertiesImage
MNX_IDMNXM1107320 Image of MNXM1107320
referencechebi:62158
formulaC22H38N2O16
global charge0
mol weight586.544
InChIKeyAULDNGHDBFNGGC-XYVIJKTMSA-N
InChIInChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+/m1/s1 Image of MNXM1107320
SMILES (mnx)[CH3:1][C:6](=[N:23][C@@H:11]1[C@@H:16]([OH:32])[C@H:13]([OH:29])[C@@H:8]([CH2:3][OH:25])[O:38][C@H:21]1[O:36][CH2:5][C@@H:10]1[C@H:15]([OH:31])[C@H:19]([O:40][C@H:22]2[C@H:18]([OH:34])[C@@H:17]([OH:33])[C@@H:14]([OH:30])[C@@H:9]([CH2:4][OH:26])[O:39]2)[C@@H:12]([N:24]=[C:7]([CH3:2])[OH:28])[C@@H:20]([OH:35])[O:37]1)[OH:27]
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:62158
chebi:62158
AULDNGHDBFNGGC-XYVIJKTMSA-N 		beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranose
Galbeta1-3(GlcNAcbeta1-6)GalNAcalpha
GlcNAcb1-6(Galb1-3)GalNAca
GlcNAcbeta1-6(Galbeta1-3)GalNAcalpha
O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-O-[beta-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-alpha-D-galactopyranose
WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_a6-c1
alpha-D-galactopyranose, O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-
beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc

CHEBI:157056
chebi:157056
AULDNGHDBFNGGC-KTVUOULLSA-N 		N-[(3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
Gal(?1-3)[GlcNAc(?1-6)]a-GalNAc
WURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-3/a3-b1_a6-c1