EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230790 - pa(14:1(9z)/14:1(9z))

Default Structure
ChEBI IDCHEBI:230790
ChEBI Namepa(14:1(9z)/14:1(9z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H57O8P
Net Charge0
Average Mass588.763
Monoisotopic Mass588.37911
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C31H57O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,29H,3-8,13-28H2,1-2H3,(H2,34,35,36)/b11-9-,12-10-/t29-/m1/s1
InChIKeyWAHAFKLDHYLSIB-DNUNUQSRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pa(14:1(9z)/14:1(9z)) (CHEBI:230790) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetradec-9-enoate
Manual XrefsDatabases
75336444ChemSpider
LMGP10010921LIPID MAPS