CHEBI:231026 - PG(a-25:0/PGF1alpha)

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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 PG(a-25:0/PGF1alpha)
ChEBI ID CHEBI:231026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H97O13P
Net Charge 0
Average Mass 949.298
Monoisotopic Mass 948.66668
InChI InChI=1S/C51H97O13P/c1-4-6-25-31-43(53)35-36-47-46(48(55)37-49(47)56)32-27-23-24-29-34-51(58)64-45(41-63-65(59,60)62-39-44(54)38-52)40-61-50(57)33-28-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-30-42(3)5-2/h35-36,42-49,52-56H,4-34,37-41H2,1-3H3,(H,59,60)/b36-35+/t42?,43-,44-,45+,46+,47+,48-,49+/m0/s1
InChIKey IJUJMHIHKGIZPM-NTIKHHJRSA-N
SMILES P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PG(a-25:0/PGF1alpha) (CHEBI:231026) 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-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] 22-methyltetracosanoate
Manual Xrefs Databases
128427848 ChemSpider
HMDB0271041 HMDB
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