CHEBI:85238 - 15-deoxy-Δ12,14-prostaglandin J2-2-glyceryl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-deoxy-Δ12,14-prostaglandin J2-2-glyceryl ester
ChEBI ID CHEBI:85238
ChEBI ASCII Name 15-deoxy-Delta(12,14)-prostaglandin J2-2-glyceryl ester
Definition A 2-monoglyceride resulting from the condensation of the carboxy group of 15-deoxy-Δ12,14-prostaglandin J2 with the hydroxy group at position 2 of glycerol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Nevila Nouspikel
Secondary ChEBI IDs CHEBI:85233
Supplier Information ZINC000095644656
Download Molfile XML SDF
Formula C23H34O5
Net Charge 0
Average Mass 390.51310
Monoisotopic Mass 390.24062
InChI InChI=1S/C23H34O5/c1-2-3-4-5-6-10-13-21-19(15-16-22(21)26)12-9-7-8-11-14-23(27)28-20(17-24)18-25/h6-7,9-10,13,15-16,19-20,24-25H,2-5,8,11-12,14,17-18H2,1H3/b9-7-,10-6+,21-13+/t19-/m0/s1
InChIKey JGKIBUMNHSZUSL-SLDNAQRASA-N
SMILES CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(=O)OC(CO)CO)C=CC1=O
ChEBI Ontology
Outgoing 15-deoxy-Δ12,14-prostaglandin J2-2-glyceryl ester (CHEBI:85238) has functional parent 15-deoxy-Δ12,14-prostaglandin J2 (CHEBI:34159)
15-deoxy-Δ12,14-prostaglandin J2-2-glyceryl ester (CHEBI:85238) is a 2-monoglyceride (CHEBI:17389)
15-deoxy-Δ12,14-prostaglandin J2-2-glyceryl ester (CHEBI:85238) is a prostaglandins J (CHEBI:26346)
IUPAC Name
1,3-dihydroxypropan-2-yl (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oate
Synonyms Sources
11-oxo-5Z,9,12E,14E-prostatetraenoic acid 2-glyceryl ester SUBMITTER
2-glyceryl 11-oxo-5Z,9,12E,14E-prostatetraenoate ChEBI
2-glyceryl-15-deoxy-Δ12,14-prostaglandin J2 UniProt
Manual Xref Database
HMDB0013656 HMDB
View more database links
Registry Number Type Source
24290747 Reaxys Registry Number Reaxys
Citation
Savinainen JR, Patel JZ, Parkkari T, Navia-Paldanius D, Marjamaa JJ, Laitinen T, Nevalainen T, Laitinen JT (2014)
Biochemical and pharmacological characterization of the human lymphocyte antigen B-associated transcript 5 (BAT5/ABHD16A).
PloS one 9, e109869 (Source: SUBMITTER) [PubMed:25290914]
[show Abstract]
Last Modified
13 December 2023