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a ganglioside GM1 (d18:1(4E))

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103857

	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	26

formula

C₅₆H₉₅N₃O₃₁*

charge

mass

reference

chebi:77709

InChIKey

InChI

SMILES

[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:30]([C@H:29]([CH2:25][O:82][C@H:53]1[C@H:45]([OH:78])[C@@H:43]([OH:76])[C@H:47]([O:87][C@H:55]2[C@H:46]([OH:79])[C@@H:51]([O:91][C@:57]3([C:56](=[O:80])[OH:81])[CH2:19][C@H:31]([OH:70])[C@@H:37]([N:59]=[C:27]([CH3:3])[OH:67])[C@H:50]([C@@H:39]([C@@H:32]([CH2:20][OH:61])[OH:71])[OH:72])[O:90]3)[C@@H:48]([O:88][C@H:52]3[C@H:38]([N:60]=[C:28]([CH3:4])[OH:68])[C@@H:49]([O:89][C@H:54]4[C@H:44]([OH:77])[C@@H:42]([OH:75])[C@@H:40]([OH:73])[C@@H:33]([CH2:21][OH:62])[O:84]4)[C@@H:41]([OH:74])[C@@H:34]([CH2:22][OH:63])[O:83]3)[C@@H:36]([CH2:24][OH:65])[O:86]2)[C@@H:35]([CH2:23][OH:64])[O:85]1)[N:58]=[C:26]([13CH3:2])[OH:66])[OH:69]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:77709 chebi:77709	a ganglioside GM1 (d18:1(4E)) alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine(1-) beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-)
kegg.compound:C04911 keggC:C04911	D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine GM1 GM1a Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
bigg.metabolite:HC02161 biggM:HC02161 vmhM:HC02161 vmhmetabolite:HC02161	GM1-pool
SLM:000389738 slm:000389738	Ganglioside GM1 (d18:1(4E)) GM1(d18:1(4E)) Ganglioside GM1 (d18:1(4E)) beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
bigg.metabolite:gm1_hs biggM:gm1_hs	Ganglioside GM1 (homo sapiens)
vmhM:gm1_hs vmhmetabolite:gm1_hs	ganglioside GM1
biggM:M_HC02161 biggM:M_gm1_hs keggC:M_C04911	secondary/obsolete/fantasy identifier