CHEBI:28130 - 13,14-dihydro-Δ12-prostaglandin J2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13,14-dihydro-Δ12-prostaglandin J2
ChEBI ID CHEBI:28130
ChEBI ASCII Name 13,14-dihydro-Delta(12)-prostaglandin J2
Definition A member of the class of prostaglandins J that is prosta-5,9,12-trien-1-oic acid carrying oxo and hydsroxy substituents at positions 11 and 15 respectively (the 5Z,12E,15S-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23604, CHEBI:10537
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.44980
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
InChIKey TUXFWOHFPFBNEJ-GJGHEGAFSA-N
SMILES CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
Roles Classification
Biological Role(s): antiviral agent
A substance that destroys or inhibits replication of viruses.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) has functional parent prostaglandin J2 (CHEBI:27485)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) has role antineoplastic agent (CHEBI:35610)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) has role antiviral agent (CHEBI:22587)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) is a prostaglandins J (CHEBI:26346)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) is a secondary alcohol (CHEBI:35681)
13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130) is conjugate acid of 13,14-dihydro-Δ12-prostaglandin J2(1−) (CHEBI:133424)
Incoming 13,14-dihydro-Δ12-prostaglandin J2(1−) (CHEBI:133424) is conjugate base of 13,14-dihydro-Δ12-prostaglandin J2 (CHEBI:28130)
IUPAC Name
(5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
Synonyms Sources
9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2 ChemIDplus
9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2 ChemIDplus
9-Deoxy-delta(9,12)-13,14-dihydro PGD2 ChemIDplus
d12-PGJ2 ChEBI
Dddd-PGD2 ChemIDplus
delta(12)-PGJ2 ChemIDplus
delta-12-PGJ2 KEGG COMPOUND
δ-12-PGJ2 LIPID MAPS
delta-12-Prostaglandin J2 KEGG COMPOUND
Manual Xrefs Databases
C05958 KEGG COMPOUND
LMFA03010020 LIPID MAPS
View more database links
Registry Numbers Types Sources
87893-54-7 CAS Registry Number KEGG COMPOUND
87893-54-7 CAS Registry Number ChemIDplus
Last Modified
04 June 2018