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a ganglioside GA2 (d18:1(4E))

PropertiesImage
MNX_IDMNXM1104129 Image of MNXM1104129
referencechebi:27731
formulaC39H69N2O18*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[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]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C40H72N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(48)24(41-22(2)46)21-55-39-34(53)32(51)37(27(19-44)57-39)60-40-35(54)33(52)36(28(20-45)58-40)59-38-29(42-23(3)47)31(50)30(49)26(18-43)56-38/h16-17,24-40,43-45,48-54H,4-15,18-21H2,1-3H3,(H,41,46)(H,42,47)/b17-16+/t24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37+,38-,39+,40-/m0/s1/i2+1 Image of MNXM1104129
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:25]([C@H:24]([CH2:21][O:55][C@H:39]1[C@H:34]([OH:53])[C@@H:32]([OH:51])[C@H:37]([O:60][C@H:40]2[C@H:35]([OH:54])[C@@H:33]([OH:52])[C@@H:36]([O:59][C@H:38]3[C@H:29]([N:42]=[C:23]([CH3:3])[OH:47])[C@@H:31]([OH:50])[C@@H:30]([OH:49])[C@@H:26]([CH2:18][OH:43])[O:56]3)[C@@H:28]([CH2:20][OH:45])[O:58]2)[C@@H:27]([CH2:19][OH:44])[O:57]1)[N:41]=[C:22]([13CH3:2])[OH:46])[OH:48]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27731
chebi:27731 		a ganglioside GA2 (d18:1(4E))
(Gal)1 (GalNAc)1 (Glc)1 (Cer)1
Asialo GM2-re-N-acetylated
GA2
GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer
GalNAc-beta1->4LacCer
GgOSe3Cer
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide
N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
N-acetyl-beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides
asialo GM2
asialoganglioside GM2
beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer

seed.compound:cpd03656
seedM:cpd03656 		GA2
CPD-19630
GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer
GalNAc-beta1->4LacCer

kegg.compound:C06135
keggC:C06135 		GA2
GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer
GalNAc-beta1->4LacCer

SLM:000389732
slm:000389732 		Ganglioside GA2 (d18:1(4E))
GA2(d18:1(4E))
Ganglioside GA2 (d18:1(4E))
N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine
N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide

metacyc.compound:CPD-19630
metacycM:CPD-19630 		a ganglioside GA2
Gg3Cer
a ganglioside asialo-GM2
an N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)ceramide
an asialoganglioside GM2

chebi:21149
chebi:5208
chebi:78545
keggC:M_C06135
seedM:M_cpd03656 		secondary/obsolete/fantasy identifier