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CHEBI:180844 - Trihexosylceramide (d18:1/9Z-18:1)

ChEBI IDCHEBI:180844
ChEBI NameTrihexosylceramide (d18:1/9Z-18:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H99NO18
Net Charge0
Average Mass1050.375
Monoisotopic Mass1049.68622
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C54H99NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h17-18,29,31,37-41,43-54,56-59,61-67H,3-16,19-28,30,32-36H2,1-2H3,(H,55,60)/b18-17+,31-29+
InChIKeyXRPQSEBNLXORQZ-LSUSWXEESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Trihexosylceramide (d18:1/9Z-18:1) (CHEBI:180844) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(E)-N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
Manual XrefsDatabases
16744891ChemSpider
C04737KEGG COMPOUND
D-GALACTOSYL-14-D-GALACTOSYL-14-D-MetaCyc
HMDB0004878HMDB