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N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine

PropertiesImage
MNX_IDMNXM4461 Image of MNXM4461
referencechebi:60040
formulaC25H41N2O19
global charge-1
mol weight673.598
InChIKeyRPSBVJXBTXEJJG-LURNZOHQSA-M
InChIInChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/p-1/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@]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](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1 Image of MNXM4461
SMILES (mnx)[CH3:1][C:7](=[N:26][C@@H:13]1[C@@H:9]([OH:32])[CH2:3][C@@:25]([C:24](=[O:40])[OH:41])([O:42][CH2:6][C@@H:12]2[C@H:16]([OH:35])[C@H:18]([OH:37])[C@@H:19]([OH:38])[C@H:23]([O:45][C@@H:20]3[C@@H:11]([CH2:5][OH:29])[O:43][C@@H:22]([OH:39])[C@H:14]([N:27]=[C:8]([CH3:2])[OH:31])[C@H:17]3[OH:36])[O:44]2)[O:46][C@H:21]1[C@@H:15]([C@@H:10]([CH2:4][OH:28])[OH:33])[OH:34])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60040
chebi:60040
RPSBVJXBTXEJJG-LURNZOHQSA-M 		N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine(1-)
hmdb:HMDB0001081
RPSBVJXBTXEJJG-LURNZOHQSA-N 		(N-acetylneuraminosyl(a2-6)lactosamine)
(2R,4S,5R,6R)-5-Acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
(2R,4S,5R,6R)-5-Acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-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
(2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-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
(N-Acetylneuraminosyl(alpha2-6)lactosamine)
6'-Sialyllactosamine
6-Sialyllactosamine
6-sialyllactosamine
N-Acetylneuraminosyl(a2-6)lactosamine
N-Acetylneuraminosyl(alpha2-6)lactosamine
Neu5aca2-6galb1-4glcnacb
Neu5acbeta2-6galbeta1-4glcnacbeta
NeuAcalpha2,6galbeta1,4glcnac
Neuac-lact
Neuacalpha2,6galnacbeta1,4glcnac
Neuacalpha2-6galbeta1-4glcnacbeta
O-(N-Acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranose
O-(N-Acetyl-a-neuraminosyl)-(2->6)-O-b-delta-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-b-delta-glucopyranose
O-(N-Acetyl-a-neuraminosyl)-(26)-O-b-D-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-b-D-glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(26)-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_b6-C2
a-N-Acetylneuraminyl-(2->6)-b-D-galactosyl-(1->4)-N-acetyl-b-D-glucosamine
a-N-Acetylneuraminyl-2,6-b-D-galactosyl-1,4-N-acetyl-b-D-glucosamine
a-N-Acetylneuraminyl-2,6-b-delta-galactosyl-1,4-N-acetyl-b-delta-glucosamine
a-NeuNAc-(2->6)-b-D-gal-(1->4)-b-D-glcnac
a-NeupNAc-(2->6)-b-D-galp-(1->4)-b-D-glcpnac
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
alpha-N-Acetylneuraminyl-2,6-beta-delta-galactosyl-1,4-N-acetyl-beta-delta-glucosamine
alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
alpha-N-acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
alpha-N-acetylneuraminyl-2,6-beta-delta-galactosyl-1,4-N-acetyl-beta-delta-glucosamine
alpha-NeuNAc-(2->6)-beta-D-gal-(1->4)-beta-D-glcnac
alpha-NeupNAc-(2->6)-beta-D-galp-(1->4)-beta-D-glcpnac
alpha-neunac-(2->6)-beta-D-gal-(1->4)-beta-D-glcnac
alpha-neupnac-(2->6)-beta-D-galp-(1->4)-beta-D-glcpnac

kegg.glycan:G00255
keggG:G00255 		6'-Sialyllactosamine
6'-SLN
6'-Sialyl-(N-acetyllactosamine)

seed.compound:cpd02971
seedM:cpd02971 		alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D- glucosamine
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
alpha-N-acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
an N-acetyl-alpha-neuraminyl-2,6-beta-D-galactosyl-R

kegg.compound:C04886
keggC:C04886
RPSBVJXBTXEJJG-LURNZOHQSA-N 		alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine

CHEBI:17725
chebi:17725
RPSBVJXBTXEJJG-LURNZOHQSA-N 		alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
(2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-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
(N-acetylneuraminosyl(alpha2-6)lactosamine)
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-glucopyranose
6'-Sialyllactosamine
6-Sialyllactosamine
N-Acetylneuraminosyl(alpha2-6)lactosamine
Neu5Aca2-6Galb1-4GlcNAcb
NeuAcalpha2,6Galbeta1,4GlcNAc
Neuac-lact
Neuacalpha2,6GalNAcbeta1,4GlcNAc
Neuacalpha2-6Galbeta1-4GlcNAcbeta
O-(N-Acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-beta-delta-Glucopyranose
O-(N-Acetyl-alpha-neuraminosyl)-(26)-O-beta-D-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-beta-D-Glucopyranose
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-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_b6-c2
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
alpha-N-Acetylneuraminyl-2,6-beta-delta-galactosyl-1,4-N-acetyl-beta-delta-glucosamine
alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc
alpha-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

hmdb:HMDB0002049
hmdb:HMDB0006609
hmdb:HMDB01081
hmdb:HMDB02049
hmdb:HMDB06609
chebi:10312
chebi:12300
chebi:22434
keggC:M_C04886
keggG:M_G00255
seedM:M_cpd02971 		secondary/obsolete/fantasy identifier