CHEBI:192735 - 15(R)-15-methyl Prostaglandin A2

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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 15(R)-15-methyl Prostaglandin A2
ChEBI ID CHEBI:192735
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O4
Net Charge 0
Average Mass 348.483
Monoisotopic Mass 348.23006
InChI InChI=1S/C21H32O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,7,12-14,16-18,25H,3-4,6,8-11,15H2,1-2H3,(H,23,24)/b7-5-,16-14+/t17-,18-,21-/m1/s1
InChIKey UEBXYYKXJUBAJX-ULDSDQABSA-N
SMILES O[C@](CCCCC)(\C=C\[C@@H]1[C@@H](C/C=C\CCCC(O)=O)C(=O)C=C1)C
Metabolite of Species Details
Macaca mulatta (NCBI:txid9544) Found in serum (BTO:0001239). See: MetaboLights Study
Macaca mulatta (NCBI:txid9544) Found in cerebrospinal fluid (BTO:0000237). See: MetaboLights Study
ChEBI Ontology
Outgoing 15(R)-15-methyl Prostaglandin A2 (CHEBI:192735) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Manual Xref Database
29342018 ChemSpider
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