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a ganglioside GT1b (d18:1(4E))

PropertiesImageOccurences in reactions
MNX_IDMNXM1378674Image of MNXM1378674
#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 3
formulaC78H127N5O47*
charge 
mass 
referencechebi:78452
InChIKey 
InChI 
SMILES[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:38]([C@H:37]([CH2:31][O:118][C@H:71]1[C@H:59]([OH:109])[C@@H:58]([OH:108])[C@H:62]([O:123][C@H:73]2[C@H:61]([OH:111])[C@@H:69]([O:131][C@:79]3([C:76](=[O:116])[OH:117])[CH2:23][C@H:41]([OH:100])[C@@H:51]([N:83]=[C:35]([CH3:5])[OH:95])[C@H:67]([C@@H:57]([C@@H:46]([CH2:28][OH:89])[O:126][C@:77]4([C:74](=[O:112])[OH:113])[CH2:21][C@H:39]([OH:98])[C@@H:49]([N:81]=[C:33]([CH3:3])[OH:93])[C@H:65]([C@@H:53]([C@@H:42]([CH2:24][OH:85])[OH:101])[OH:103])[O:127]4)[OH:107])[O:129]3)[C@@H:63]([O:124][C@H:70]3[C@H:52]([N:84]=[C:36]([CH3:6])[OH:96])[C@@H:64]([O:125][C@H:72]4[C@H:60]([OH:110])[C@@H:68]([O:130][C@:78]5([C:75](=[O:114])[OH:115])[CH2:22][C@H:40]([OH:99])[C@@H:50]([N:82]=[C:34]([CH3:4])[OH:94])[C@H:66]([C@@H:54]([C@@H:43]([CH2:25][OH:86])[OH:102])[OH:104])[O:128]5)[C@@H:56]([OH:106])[C@@H:45]([CH2:27][OH:88])[O:120]4)[C@@H:55]([OH:105])[C@@H:44]([CH2:26][OH:87])[O:119]3)[C@@H:48]([CH2:30][OH:91])[O:122]2)[C@@H:47]([CH2:29][OH:90])[O:121]1)[N:80]=[C:32]([13CH3:2])[OH:92])[OH:97]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:78452
chebi:78452 		a ganglioside GT1b (d18:1(4E))
Ganglioside GT1b(3-)
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alphaN-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-)
alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-)
kegg.compound:C06140
keggC:C06140 		GT1b
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
vmhM:gt1c_hs
vmhmetabolite:gt1c_hs 		GT1c
SLM:000389693
slm:000389693 		Ganglioside GT1b (d18:1(4E))
GT1b(d18:1(4E))
Ganglioside GT1b (d18:1(4E))
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
CHEBI:28058
chebi:28058 		alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
(2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1
GT1b
Ganglioside GT1b
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
NeuAc(alpha2-3)Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1'Cer
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1Cer
NeuAcalpha2->3Galbeta1->3GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glc1-1Cer
alpha-Neu5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer
trisialoganglioside GT1b
chebi:21172
chebi:5232
keggC:M_C06140 		secondary/obsolete/fantasy identifier