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

PropertiesImage
MNX_IDMNXM102525 Image of MNXM102525
referencechebi:71273
formulaC22H38N2O16
global charge0
mol weight586.544
InChIKeyHMTGZRFHWKZHAH-LHXUNUQVSA-N
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)38-22(17(34)16(18)33)40-19-12(24-7(2)29)20(35)36-9(4-26)14(19)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)38-22(17(34)16(18)33)40-19-12(24-7(2)29)20(35)36-9(4-26)14(19)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22+/m1/s1 Image of MNXM102525
SMILES (mnx)[CH3:1][C:6](=[N:23][C@@H:11]1[C@@H:15]([OH:32])[C@H:13]([OH:30])[C@@H:8]([CH2:3][OH:25])[O:37][C@@H:21]1[O:39][C@H:18]1[C@@H:10]([CH2:5][OH:27])[O:38][C@@H:22]([O:40][C@@H:19]2[C@@H:12]([N:24]=[C:7]([CH3:2])[OH:29])[C@H:20]([OH:35])[O:36][C@H:9]([CH2:4][OH:26])[C@H:14]2[OH:31])[C@H:17]([OH:34])[C@H:16]1[OH:33])[OH:28]
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:71273
chebi:71273
HMTGZRFHWKZHAH-LHXUNUQVSA-N 		alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose
GlcNAca1-4Galb1-3GlcNAcb
GlcNAcalpha1-4Galbeta1-3GlcNAcbeta
N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosamine
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1
alpha-D-GlcNAc-(1->4)-beta-D-Gal-(1->3)-beta-D-GlcNAc

CHEBI:157289
chebi:157289
HMTGZRFHWKZHAH-UUFXXWOCSA-N 		N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[(3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose
GlcNAc(a1-4)Gal(b1-3)GlcNAc
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1