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alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM102599 Image of MNXM102599
referencechebi:71612
formulaC25H42N2O19
global charge0
mol weight674.606
InChIKeyGVXWGQLSDZJHFY-SDJLXEQRSA-N
InChIInChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1 Image of MNXM102599
SMILES (mnx)[CH3:1][C:7](=[N:26][C@@H:13]1[C@@H:9]([OH:33])[CH2:3][C@@:25]([C:24](=[O:40])[OH:41])([O:46][C@H:21]2[C@@H:16]([OH:36])[C@@H:11]([CH2:5][OH:29])[O:43][C@@H:23]([O:44][C@@H:19]3[C@@H:12]([CH2:6][OH:30])[O:42][C@@H:22]([OH:39])[C@H:14]([N:27]=[C:8]([CH3:2])[OH:32])[C@H:17]3[OH:37])[C@@H:18]2[OH:38])[O:45][C@H:20]1[C@@H:15]([C@@H:10]([CH2:4][OH:28])[OH:34])[OH:35])[OH:31]
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:71612
chebi:71612
GVXWGQLSDZJHFY-SDJLXEQRSA-N 		alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
Neu5Ac (alpha1-3)Gal (beta1-4)GlcNac (beta)
Neu5Aca2-3Galb1-4GlcNAcb
Neu5Acalpha2-3Galbeta1-4GlcNAcbeta
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc
beta-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-