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a ganglioside GM1alpha (d18:1(4E))

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1104499

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₅₆H₉₅N₃O₃₁*

charge

mass

reference

chebi:142051

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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142051 chebi:142051	a ganglioside GM1alpha (d18:1(4E)) GM1alpha(d18:1(4E))(1-) beta-D-Gal-(1->3)-[alpha-NeuAc-(2->3)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-) beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4E-enine(1-) beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)
vmhM:gm1a_hs vmhM:gm1a_hs vmhmetabolite:gm1a_hs vmhmetabolite:gm1a_hs	GM1alpha
bigg.metabolite:gm1a_hs biggM:gm1a_hs	GM1alpha (homo sapiens)
SLM:000758517 slm:000758517	Ganglioside GM1alpha(d18:1(4E)) beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)
CHEBI:61577 chebi:61577	beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->6)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucoside (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside GM1alpha III6NeuAc-Gg4Cer beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer ganglioside GM1alpha
biggM:M_gm1a_hs	secondary/obsolete/fantasy identifier