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CHEBI:91133 - prostaglandin H1
| Formula | C20H34O5 |
| Net Charge | 0 |
| Average Mass | 354.487 |
| Monoisotopic Mass | 354.24062 |
| SMILES | CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H]2C[C@H]1OO2 |
| InChI | InChI=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)/b13-12+/t15-,16+,17+,18-,19+/m0/s1 |
| InChIKey | NTAYABHEVAQSJS-CDIPTNKSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (10791960) |
| 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: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| prostaglandin H1 (CHEBI:91133) has role human xenobiotic metabolite (CHEBI:76967) |
| prostaglandin H1 (CHEBI:91133) is a bridged compound (CHEBI:35990) |
| prostaglandin H1 (CHEBI:91133) is a olefinic compound (CHEBI:78840) |
| prostaglandin H1 (CHEBI:91133) is a organic peroxide (CHEBI:25702) |
| prostaglandin H1 (CHEBI:91133) is a oxylipin (CHEBI:61121) |
| prostaglandin H1 (CHEBI:91133) is a prostaglandins H (CHEBI:26344) |
| prostaglandin H1 (CHEBI:91133) is a secondary alcohol (CHEBI:35681) |
| prostaglandin H1 (CHEBI:91133) is conjugate acid of prostaglandin H1(1−) (CHEBI:90793) |
| Incoming Relation(s) |
| 19-hydroxyprostaglandin H1 (CHEBI:91135) has functional parent prostaglandin H1 (CHEBI:91133) |
| prostaglandin H1(1−) (CHEBI:90793) is conjugate base of prostaglandin H1 (CHEBI:91133) |
| 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}heptanoic acid |
| Synonyms | Source |
|---|---|
| 9alpha,11alpha-epidioxy-15(S)-hydroxy-13-trans-prostenoic acid | HMDB |
| 9,11-epi-dioxy-15-hydroxy-(9α,11α,13E,15S)-prost-13-en-1-oic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013041 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8944571 | Reaxys |
| Citations |
|---|