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a ganglioside GM4 (d18:1(4E))

PropertiesImage
MNX_IDMNXM729037 Image of MNXM729037
referencechebi:78482
formulaC36H62N2O16*
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C37H66N2O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(44)24(38-22(2)42)21-52-35-32(49)34(31(48)28(20-41)53-35)55-37(36(50)51)18-26(45)29(39-23(3)43)33(54-37)30(47)27(46)19-40/h16-17,24-35,40-41,44-49H,4-15,18-21H2,1-3H3,(H,38,42)(H,39,43)(H,50,51)/b17-16+/t24-,25+,26-,27+,28+,29+,30+,31-,32+,33+,34-,35+,37-/m0/s1/i2+1 Image of MNXM729037
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:52][C@H:35]1[C@H:32]([OH:49])[C@@H:34]([O:55][C@:37]2([C:36](=[O:50])[OH:51])[CH2:18][C@H:26]([OH:45])[C@@H:29]([N:39]=[C:23]([CH3:3])[OH:43])[C@H:33]([C@@H:30]([C@@H:27]([CH2:19][OH:40])[OH:46])[OH:47])[O:54]2)[C@@H:31]([OH:48])[C@@H:28]([CH2:20][OH:41])[O:53]1)[N:38]=[C:22]([13CH3:2])[OH:42])[OH:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78482
chebi:78482 		a ganglioside GM4 (d18:1(4E))
Ganglioside GM4(1-)
N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-N-acylsphingosine
N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide(1-)
alpha-Neu5NAc-(2->3)-beta-D-Gal-(1<->1')-Cer(2-)
alpha-Neu5NAc-(2->3)-beta-D-Galp-(1<->1')-Cer(2-)

seed.compound:cpd03653
seedM:cpd03653
kegg.compound:C06128
keggC:C06128 		GM4
N-Acetylneuraminyl-galactosylceramide
Neu5Ac-alpha2->3Gal-beta1->1'Cer

SLM:000489921
slm:000489921 		Ganglioside GM4 (d18:1(4E))
GM4(d18:1(4E))
Ganglioside GM4 (d18:1(4E))
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-N-acyl-sphing-4-enine
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide

CHEBI:27499
chebi:27499 		N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 3-O-(5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-beta-D-galactopyranoside
(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->3)-beta-D-galactopyranoside
(Gal)1 (Neu5Ac)1 (Cer)1
N-Acetylneuraminyl-galactosylceramide
NeuAcalpha2-3Galbeta-Cer
NeuAcalpha2->3Gal-Cer
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-Cer
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1<->1')-Cer
ganglioside GM4

chebi:21625
chebi:7218
keggC:M_C06128
seedM:M_cpd03653 		secondary/obsolete/fantasy identifier