EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57400 - 15-dehydro-prostaglandin E2(1−)

ChEBI IDCHEBI:57400
ChEBI Name15-dehydro-prostaglandin E2(1−)
Stars
ASCII Name15-dehydro-prostaglandin E2(1-)
DefinitionConjugate base of 15-dehydro-prostaglandin E2.
Last Modified26 March 2020
DownloadsMolfile
FormulaC20H29O5
Net Charge-1
Average Mass349.447
Monoisotopic Mass349.20205
SMILESCCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t16-,17-,19-/m1/s1
InChIKeyYRTJDWROBKPZNV-KMXMBPPJSA-M
ChEBI Ontology
Outgoing Relation(s)
15-dehydro-prostaglandin E2(1−) (CHEBI:57400) is a prostaglandin carboxylic acid anion (CHEBI:59326)
15-dehydro-prostaglandin E2(1−) (CHEBI:57400) is conjugate base of 15-dehydro-prostaglandin E2 (CHEBI:15547)
Incoming Relation(s)
15-dehydro-prostaglandin E2 (CHEBI:15547) is conjugate acid of 15-dehydro-prostaglandin E2(1−) (CHEBI:57400)
IUPAC Name 
(5Z,13E)-11α-hydroxy-9,15-dioxoprosta-5,13-dienoate
Synonym  Source
15-dehydro-prostaglandin E2 anionChEBI
UniProt Name  Source
15-oxoprostaglandin E2UniProt