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CHEBI:230838 - PA(6 keto-PGF1alpha/14:1(9Z))

Default Structure
ChEBI IDCHEBI:230838
ChEBI NamePA(6 keto-PGF1alpha/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H65O12P
Net Charge0
Average Mass732.889
Monoisotopic Mass732.42136
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)(O)O
InChIInChI=1S/C37H65O12P/c1-3-5-7-8-9-10-11-12-13-14-16-22-37(43)49-31(28-48-50(44,45)46)27-47-36(42)21-18-17-20-30(39)25-33-32(34(40)26-35(33)41)24-23-29(38)19-15-6-4-2/h8-9,23-24,29,31-35,38,40-41H,3-7,10-22,25-28H2,1-2H3,(H2,44,45,46)/b9-8-,24-23+/t29-,31+,32+,33+,34+,35-/m0/s1
InChIKeyKMMXJWGBSKYGQO-DXLBOZEESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(6 keto-PGF1alpha/14:1(9Z)) (CHEBI:230838) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetradec-9-enoate
Manual XrefsDatabases
128426471ChemSpider
HMDB0263087HMDB