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CHEBI:230446 - PA(21:0/18:3(10,12,15)-OH(9))

Default Structure
ChEBI IDCHEBI:230446
ChEBI NamePA(21:0/18:3(10,12,15)-OH(9))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O9P
Net Charge0
Average Mass757.043
Monoisotopic Mass756.53052
SMILESCC/C=C/C/C=C/C=C/C(O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C42H77O9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-27-31-35-41(44)49-37-40(38-50-52(46,47)48)51-42(45)36-32-28-24-26-30-34-39(43)33-29-25-22-10-8-6-4-2/h6,8,22,25,29,33,39-40,43H,3-5,7,9-21,23-24,26-28,30-32,34-38H2,1-2H3,(H2,46,47,48)/b8-6+,25-22+,33-29+/t39?,40-/m1/s1
InChIKeyYQLAWCAXPKBGHW-FZSGTNLSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(21:0/18:3(10,12,15)-OH(9)) (CHEBI:230446) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-2-[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy-3-phosphonooxypropyl] henicosanoate
Manual XrefsDatabases
117221160ChemSpider
HMDB0265534HMDB