13,14-dihydro-15-keto-PGF2alpha (CHEBI:63976)

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CHEBI:63976 - 13,14-dihydro-15-keto-PGF_2α

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ChEBI ID	CHEBI:63976
ChEBI Name	13,14-dihydro-15-keto-PGF_2α
Stars
ASCII Name	13,14-dihydro-15-keto-PGF2alpha
Definition	A prostaglandin F_α obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin F_2α.
Last Modified	9 February 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C20H34O5
Net Charge	0
Average Mass	354.487
Monoisotopic Mass	354.24062
SMILES	CCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChI	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1
InChIKey	VKTIONYPMSCHQI-XAGFEHLVSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	13,14-dihydro-15-keto-PGF_2α (CHEBI:63976) has functional parent prostaglandin F_2α (CHEBI:15553)
	13,14-dihydro-15-keto-PGF_2α (CHEBI:63976) has role metabolite (CHEBI:25212)
	13,14-dihydro-15-keto-PGF_2α (CHEBI:63976) is a ketone (CHEBI:17087)
	13,14-dihydro-15-keto-PGF_2α (CHEBI:63976) is a prostaglandins F_α (CHEBI:36066)
	13,14-dihydro-15-keto-PGF_2α (CHEBI:63976) is conjugate acid of 13,14-dihydro-15-keto-PGF_2α(1−) (CHEBI:133374)
Incoming Relation(s)
	13,14-dihydro-15-keto PGF2α isopropyl ester (CHEBI:142507) has functional parent 13,14-dihydro-15-keto-PGF_2α (CHEBI:63976)
	13,14-dihydro-15-keto-PGF_2α(1−) (CHEBI:133374) is conjugate base of 13,14-dihydro-15-keto-PGF_2α (CHEBI:63976)

IUPAC Name
(5Z,9α,11α)-9,11-dihydroxy-15-oxoprost-5-en-1-oic acid

Synonyms	Source
dhk-PGF_2α	SUBMITTER
13,14-dihydro-15-keto-Prostaglandin F2a	LIPID MAPS
9S,11S-dihydroxy-15-oxo-5Z-prostenoic acid	LIPID MAPS
15-Keto-13,14-dihydro-pgf2alpha	ChemIDplus
15-Keto-13,14-dihydroprostaglandin F2-alpha	ChemIDplus
15-Keto-13,14-dihydroprostaglandin F2alpha	ChemIDplus

Manual Xrefs	Databases
LMFA03010027	LIPID MAPS
US5397797	Patent
HMDB0004685	HMDB

Registry Numbers	Sources
Reaxys:6227023	Reaxys
CAS:27376-76-7	ChemIDplus

Citations