CHEBI:231017 - PA(PGF1alpha/a-25:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PA(PGF1alpha/a-25:0)
ChEBI ID CHEBI:231017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H91O11P
Net Charge 0
Average Mass 875.219
Monoisotopic Mass 874.62990
InChI InChI=1S/C48H91O11P/c1-4-6-25-31-41(49)35-36-44-43(45(50)37-46(44)51)32-27-23-24-28-33-47(52)57-38-42(39-58-60(54,55)56)59-48(53)34-29-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-40(3)5-2/h35-36,40-46,49-51H,4-34,37-39H2,1-3H3,(H2,54,55,56)/b36-35+/t40?,41-,42+,43+,44+,45-,46+/m0/s1
InChIKey ADOCMLUKEQAGQO-NOMINXDMSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PA(PGF1alpha/a-25:0) (CHEBI:231017) is a prostanoid (CHEBI:26347)
IUPAC Name
[(2R)-1-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-phosphonooxypropan-2-yl] 22-methyltetracosanoate
Manual Xrefs Databases
128427203 ChemSpider
HMDB0267308 HMDB
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