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alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-GalpNAc

PropertiesImage
MNX_IDMNXM119025 Image of MNXM119025
referencechebi:72599
formulaC33H55N3O24
global charge0
mol weight877.8
InChIKeyJRHICIDFFZRYOW-JYGZWXAVSA-N
InChIInChI=1S/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,60-28(17)20(45)13(44)5-37)54-8-16-21(46)24(49)25(50)31(57-16)58-26-15(7-39)56-30(18(23(26)48)35-10(2)41)59-27-19(36-11(3)42)29(51)55-14(6-38)22(27)47/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-,33+/m0/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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,60-28(17)20(45)13(44)5-37)54-8-16-21(46)24(49)25(50)31(57-16)58-26-15(7-39)56-30(18(23(26)48)35-10(2)41)59-27-19(36-11(3)42)29(51)55-14(6-38)22(27)47/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-,33+/m0/s1 Image of MNXM119025
SMILES (mnx)[CH3:1][C:9](=[N:34][C@@H:17]1[C@@H:12]([OH:43])[CH2:4][C@@:33]([C:32](=[O:52])[OH:53])([O:54][CH2:8][C@@H:16]2[C@H:21]([OH:46])[C@H:24]([OH:49])[C@@H:25]([OH:50])[C@H:31]([O:58][C@@H:26]3[C@@H:15]([CH2:7][OH:39])[O:56][C@@H:30]([O:59][C@@H:27]4[C@@H:19]([N:36]=[C:11]([CH3:3])[OH:42])[C@H:29]([OH:51])[O:55][C@H:14]([CH2:6][OH:38])[C@@H:22]4[OH:47])[C@H:18]([N:35]=[C:10]([CH3:2])[OH:41])[C@H:23]3[OH:48])[O:57]2)[O:60][C@H:28]1[C@@H:20]([C@@H:13]([CH2:5][OH:37])[OH:44])[OH:45])[OH:40]
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:72599
chebi:72599
JRHICIDFFZRYOW-JYGZWXAVSA-N 		alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-GalpNAc
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranose
N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-beta-D-galactosamine
NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3GalNAcbeta
alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-GalNAc

CHEBI:154307
chebi:154307
JRHICIDFFZRYOW-KVUIIWNISA-N 		(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)GalNAc
WURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c6-d2

CHEBI:85663
chebi:85663
JRHICIDFFZRYOW-JYGZWXAVSA-N 		alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose
N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosamine
Neu5Aca2-6Galb1-4GlcNAcb1-3GalNAc
NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3GalNAc
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranose
alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-D-GalNAc
beta-D-galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-