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CHEBI:90793 - prostaglandin H1(1−)

ChEBI IDCHEBI:90793
ChEBI Nameprostaglandin H1(1−)
Stars
ASCII Nameprostaglandin H1(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H33O5
Net Charge-1
Average Mass353.479
Monoisotopic Mass353.23335
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H]2C[C@H]1OO2
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/p-1/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKeyNTAYABHEVAQSJS-CDIPTNKSSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10791960)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
prostaglandin H1(1−) (CHEBI:90793) has functional parent prostaglandin G1(1−) (CHEBI:133084)
prostaglandin H1(1−) (CHEBI:90793) has role human xenobiotic metabolite (CHEBI:76967)
prostaglandin H1(1−) (CHEBI:90793) is a oxylipin anion (CHEBI:62933)
prostaglandin H1(1−) (CHEBI:90793) is a prostaglandin carboxylic acid anion (CHEBI:59326)
prostaglandin H1(1−) (CHEBI:90793) is conjugate base of prostaglandin H1 (CHEBI:91133)
Incoming Relation(s)
prostaglandin H1 (CHEBI:91133) is conjugate acid of prostaglandin H1(1−) (CHEBI:90793)
IUPAC Name 
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate
UniProt Name  Source
prostaglandin H1UniProt
Citations