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

PropertiesImage
MNX_IDMNXM151976 Image of MNXM151976
referencechebi:85789
formulaC34H58N2O26
global charge0
mol weight910.826
InChIKeyVIYTZZKDFFLOBZ-FNXTWNPOSA-N
InChIInChI=1S/C34H58N2O26/c1-8(42)35-15-20(47)17(44)10(3-37)55-31(15)61-28-16(36-9(2)43)32(56-11(4-38)18(28)45)62-29-19(46)12(5-39)57-34(25(29)52)60-27-14(7-41)58-33(24(51)22(27)49)59-26-13(6-40)54-30(53)23(50)21(26)48/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31-,32+,33+,34-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@@H]3O)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C34H58N2O26/c1-8(42)35-15-20(47)17(44)10(3-37)55-31(15)61-28-16(36-9(2)43)32(56-11(4-38)18(28)45)62-29-19(46)12(5-39)57-34(25(29)52)60-27-14(7-41)58-33(24(51)22(27)49)59-26-13(6-40)54-30(53)23(50)21(26)48/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31-,32+,33+,34-/m1/s1 Image of MNXM151976
SMILES (mnx)[CH3:1][C:8](=[N:35][C@@H:15]1[C@@H:20]([OH:47])[C@@H:17]([OH:44])[C@@H:10]([CH2:3][OH:37])[O:55][C@@H:31]1[O:61][C@@H:28]1[C@@H:16]([N:36]=[C:9]([CH3:2])[OH:43])[C@H:32]([O:62][C@H:29]2[C@@H:19]([OH:46])[C@@H:12]([CH2:5][OH:39])[O:57][C@H:34]([O:60][C@H:27]3[C@@H:14]([CH2:7][OH:41])[O:58][C@@H:33]([O:59][C@@H:26]4[C@@H:13]([CH2:6][OH:40])[O:54][C@@H:30]([OH:53])[C@H:23]([OH:50])[C@H:21]4[OH:48])[C@H:24]([OH:51])[C@H:22]3[OH:49])[C@@H:25]2[OH:52])[O:56][C@H:11]([CH2:4][OH:38])[C@@H:18]1[OH:45])[OH:42]
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:85789
chebi:85789
VIYTZZKDFFLOBZ-FNXTWNPOSA-N 		alpha-D-GalpNAc-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Galp
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
GalNAca1-3GalNAcb1-3Gala1-4Galb1-4Glcb
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta
N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose
O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->3)-O-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
WURCS=2.0/5,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a4-b1_b4-c1_c3-d1_d3-e1
alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Gal
beta-D-glucopyranose, O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->3)-O-alpha-D-galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->4)-

CHEBI:155658
chebi:155658
VIYTZZKDFFLOBZ-CQILXELKSA-N 		N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
GalNAc(a1-3)GalNAc(b1-3)Gal(a1-4)Gal(b1-4)Glc
WURCS=2.0/5,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a4-b1_b4-c1_c3-d1_d3-e1