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CHEBI:230374 - Ganglioside GM3 (d18:1/9Z-18:1)

ChEBI IDCHEBI:230374
ChEBI NameGanglioside GM3 (d18:1/9Z-18:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H104N2O21
Net Charge0
Average Mass1165.463
Monoisotopic Mass1164.71316
SMILESCCCCCCC/C=C\CCCCCCCC(=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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[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
InChIInChI=1S/C58H104N2O21/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-45(68)60-39(40(65)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)37-76-55-50(72)49(71)52(44(36-63)78-55)79-56-51(73)54(48(70)43(35-62)77-56)81-58(57(74)75)33-41(66)46(59-38(3)64)53(80-58)47(69)42(67)34-61/h16,18,29,31,39-44,46-56,61-63,65-67,69-73H,4-15,17,19-28,30,32-37H2,1-3H3,(H,59,64)(H,60,68)(H,74,75)/b18-16-,31-29-/t39-,40+,41-,42+,43+,44+,46+,47+,48-,49+,50+,51+,52+,53-,54-,55+,56-,58-/m0/s1
InChIKeyDTVMNFBOVVZUJQ-MGNOIPMISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Ganglioside GM3 (d18:1/9Z-18:1) (CHEBI:230374) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(2S,4S,5R,6S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(Z,2S,3R)-2-[[(Z)-heptadec-9-enoyl]amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0004843HMDB
16744860ChemSpider