Terminology Service for NFDI4Health
JSON

15-deoxy-Delta(12,14)-prostaglandin J2(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_85236

A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J2. obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

15-deoxy-Delta(12,14)-prostaglandin J2(1-)

Synonyms
  • (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
(5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate [ IUPAC ]

charge

-1

formula

C20H27O3

has obo namespace

chebi_ontology

has related synonym

11-oxo-5Z,9,12E,14E-prostatetraenoate(1-), 15-deoxy-Delta(12,14)-prostaglandin J2

id

CHEBI:85236

inchi

InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/p-1/b9-7-,10-6+,18-13+/t17-/m0/s1

inchikey

VHRUMKCAEVRUBK-GODQJPCRSA-M

mass

315.42710

monoisotopicmass

315.19657

smiles

CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC([O-])=O)C=CC1=O