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CHEBI:15554 - prostaglandin H2

ChEBI IDCHEBI:15554
ChEBI Nameprostaglandin H2
Stars
ASCII Nameprostaglandin H2
Secondary ChEBI IDsCHEBI:8520, CHEBI:10914, CHEBI:14909, CHEBI:26330
Last Modified23 October 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2
InChIInChI=1S/C20H32O5/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/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKeyYIBNHAJFJUQSRA-YNNPMVKQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
prostaglandin H2 (CHEBI:15554) has role mouse metabolite (CHEBI:75771)
prostaglandin H2 (CHEBI:15554) is a olefinic compound (CHEBI:78840)
prostaglandin H2 (CHEBI:15554) is a oxylipin (CHEBI:61121)
prostaglandin H2 (CHEBI:15554) is a prostaglandins H (CHEBI:26344)
prostaglandin H2 (CHEBI:15554) is a secondary alcohol (CHEBI:35681)
prostaglandin H2 (CHEBI:15554) is conjugate acid of prostaglandin H2(1−) (CHEBI:57405)
Incoming Relation(s)
19-hydroxyprostaglandin H2 (CHEBI:63912) has functional parent prostaglandin H2 (CHEBI:15554)
2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine (CHEBI:138101) has functional parent prostaglandin H2 (CHEBI:15554)
2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:138745) has functional parent prostaglandin H2 (CHEBI:15554)
prostaglandin H2 1-ethanolamide (CHEBI:53082) has functional parent prostaglandin H2 (CHEBI:15554)
prostaglandin H2 2-glyceryl ester (CHEBI:85166) has functional parent prostaglandin H2 (CHEBI:15554)
prostaglandin H2(1−) (CHEBI:57405) is conjugate base of prostaglandin H2 (CHEBI:15554)
IUPAC Names 
(5Z,13E,15S)-9α,11α-epidioxy-15-hydroxyprosta-5,13-dienoic acid
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
Synonyms  Source
Prostaglandin H2KEGG COMPOUND
(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoateKEGG COMPOUND
PGH2ChEBI
9,11-Epoxymethano-pgh2ChemIDplus
(5Z,9α,11α,13E,15S)-9,11-epidioxy-15-hydroxyprosta-5,13-dien-1-oic acidChemIDplus
PGH2KEGG COMPOUND
Manual XrefsDatabases
C00427KEGG COMPOUND
LMFA03010010LIPID MAPS
Registry NumbersSources
Beilstein:1598632Beilstein
CAS:42935-17-1KEGG COMPOUND
CAS:42935-17-1ChemIDplus