CHEBI:187977 - PGE2 1,15-lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PGE2 1,15-lactone
ChEBI ID CHEBI:187977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h4,7,12-13,15-17,19,22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKey BJXHXZDHQUYRMA-ARSRFYASSA-N
SMILES O[C@H]1[C@]2([C@](C(=O)C1)(CC=CCCCC(O[C@H](C=C2)CCCCC)=O)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PGE2 1,15-lactone (CHEBI:187977) is a prostanoid (CHEBI:26347)
IUPAC Name
(1R,2E,4S,10Z,13R,16R)-16-hydroxy-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-2,10-diene-6,14-dione
Manual Xrefs Databases
9242776 ChemSpider
LMFA03010198 LIPID MAPS
View more database links