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CHEBI:230267 - Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

ChEBI IDCHEBI:230267
ChEBI NameCer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H63NO6
Net Charge0
Average Mass629.923
Monoisotopic Mass629.46554
SMILESCC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)CCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCC/C=C\CCC
InChIInChI=1S/C38H63NO6/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-28-35(42)34(32-40)39-38(45)31-25-30-37(44)36(43)29-24-20-17-16-18-22-27-33(41)26-21-6-4-2/h6-8,16-18,20-24,27-29,33-37,40-44H,3-5,9-15,19,25-26,30-32H2,1-2H3,(H,39,45)/b8-7-,18-16+,20-17-,21-6-,27-22+,28-23+,29-24-/t33-,34-,35+,36+,37+/m0/s1
InChIKeyPVKDTOJTOMGRGB-ZMICUKDJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (CHEBI:230267) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(5R,6R,7Z,9Z,11E,13E,15S,17Z)-N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenamide
Manual XrefsDatabases
HMDB0290080HMDB