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beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Gc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer

PropertiesImage
MNX_IDMNXM43827 Image of MNXM43827
referencechebi:60323
formulaC56H96N3O32*
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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H99N3O32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(69)28(58-26(2)67)25-83-53-45(79)43(77)47(34(22-64)86-53)88-55-46(80)51(92-57(56(81)82)18-30(70)37(60-36(72)24-66)50(91-57)39(73)31(71)19-61)48(35(23-65)87-55)89-52-38(59-27(3)68)49(41(75)33(21-63)84-52)90-54-44(78)42(76)40(74)32(20-62)85-54/h16-17,28-35,37-55,61-66,69-71,73-80H,4-15,18-25H2,1-3H3,(H,58,67)(H,59,68)(H,60,72)(H,81,82)/b17-16+/t28-,29+,30-,31+,32+,33+,34+,35+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53+,54-,55-,57-/m0/s1/i2+1 Image of MNXM43827
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:29]([C@H:28]([CH2:25][O:83][C@H:53]1[C@H:45]([OH:79])[C@@H:43]([OH:77])[C@H:47]([O:88][C@H:55]2[C@H:46]([OH:80])[C@@H:51]([O:92][C@:57]3([C:56](=[O:81])[OH:82])[CH2:18][C@H:30]([OH:70])[C@@H:37]([N:60]=[C:36]([CH2:24][OH:66])[OH:72])[C@H:50]([C@@H:39]([C@@H:31]([CH2:19][OH:61])[OH:71])[OH:73])[O:91]3)[C@@H:48]([O:89][C@H:52]3[C@H:38]([N:59]=[C:27]([CH3:3])[OH:68])[C@@H:49]([O:90][C@H:54]4[C@H:44]([OH:78])[C@@H:42]([OH:76])[C@@H:40]([OH:74])[C@@H:32]([CH2:20][OH:62])[O:85]4)[C@@H:41]([OH:75])[C@@H:33]([CH2:21][OH:63])[O:84]3)[C@@H:35]([CH2:23][OH:65])[O:87]2)[C@@H:34]([CH2:22][OH:64])[O:86]1)[N:58]=[C:26]([13CH3:2])[OH:67])[OH:69]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60323
chebi:60323 		beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Gc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 3,5-dideoxy-5-(glycoloylamino)-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 (Neu5Gc)1 (Cer)1
GM1(NeuGc)
GM1-NeuGc

kegg.glycan:G00376
keggG:G00376 		GM1-NeuGc

SLM:000758481
slm:000758481 		Ganglioside GM1(NeuGc)(d18:1(4E))
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)

CHEBI:142098
chebi:142098 		ganglioside GM1(NeuGc) (d18:1(4E))
GM1(NeuGc)(d18:1(4E))(1-)
beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuGc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4E-enine(1-)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-)
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)

keggG:M_G00376 		secondary/obsolete/fantasy identifier