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CHEBI:133425 - prostaglandin B3(1−)

Default Structure
ChEBI IDCHEBI:133425
ChEBI Nameprostaglandin B3(1−)
Stars
ASCII Nameprostaglandin B3(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H27O4
Net Charge-1
Average Mass331.432
Monoisotopic Mass331.19148
SMILESCC/C=C\C[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)[O-])C(=O)CC1
InChIInChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/p-1/b6-3-,7-4-,14-12+/t17-/m0/s1
InChIKeyDQRGQQAJYRBDRP-UNBCGXALSA-M
ChEBI Ontology
Outgoing Relation(s)
prostaglandin B3(1−) (CHEBI:133425) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin B3(1−) (CHEBI:133425) is conjugate base of prostaglandin B3 (CHEBI:134511)
Incoming Relation(s)
prostaglandin B3 (CHEBI:134511) is conjugate acid of prostaglandin B3(1−) (CHEBI:133425)
IUPAC Name 
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oate
Synonym  Source
PGB3(1−)ChEBI