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CHEBI:230795 - PA(19:2(10Z,13Z)/PGF1alpha)

ChEBI IDCHEBI:230795
ChEBI NamePA(19:2(10Z,13Z)/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H75O11P
Net Charge0
Average Mass787.025
Monoisotopic Mass786.50470
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C42H75O11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-41(46)51-33-36(34-52-54(48,49)50)53-42(47)29-25-21-20-23-27-37-38(40(45)32-39(37)44)31-30-35(43)26-22-6-4-2/h9-10,12-13,30-31,35-40,43-45H,3-8,11,14-29,32-34H2,1-2H3,(H2,48,49,50)/b10-9-,13-12-,31-30+/t35-,36+,37+,38+,39-,40+/m0/s1
InChIKeyDCEZOVWIMOZLDC-IDHFDFCQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(19:2(10Z,13Z)/PGF1alpha) (CHEBI:230795) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-phosphonooxypropyl] (10Z,13Z)-nonadeca-10,13-dienoate
Manual XrefsDatabases
128426734ChemSpider
HMDB0264608HMDB