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CHEBI:230888 - PA(18:0/5-iso PGF2VI)

ChEBI IDCHEBI:230888
ChEBI NamePA(18:0/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H71O11P
Net Charge0
Average Mass746.960
Monoisotopic Mass746.47340
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C39H71O11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-38(43)48-30-33(31-49-51(45,46)47)50-39(44)26-22-21-24-34-35(37(42)29-36(34)41)28-27-32(40)23-19-6-4-2/h21-22,27-28,32-37,40-42H,3-20,23-26,29-31H2,1-2H3,(H2,45,46,47)/b22-21-,28-27+/t32-,33-,34+,35-,36+,37-/m1/s1
InChIKeyMSBKTOULNPXSBA-YDOOPZERSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(18:0/5-iso PGF2VI) (CHEBI:230888) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxy-3-phosphonooxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0263621HMDB
128426566ChemSpider