EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H34O6 |
| Net Charge | 0 |
| Average Mass | 370.486 |
| Monoisotopic Mass | 370.23554 |
| SMILES | CCCCC[C@@H](/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H]2C[C@H]1OO2)OO |
| InChI | InChI=1S/C20H34O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h12-13,15-19,23H,2-11,14H2,1H3,(H,21,22)/b13-12+/t15-,16+,17+,18-,19+/m0/s1 |
| InChIKey | QXCRWNZYEVOQMB-CDIPTNKSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (26453052) |
| 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 metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| prostaglandin G1 (CHEBI:133793) has role human metabolite (CHEBI:77746) |
| prostaglandin G1 (CHEBI:133793) is a hydroperoxy monounsaturated fatty acid (CHEBI:194320) |
| prostaglandin G1 (CHEBI:133793) is a olefinic compound (CHEBI:78840) |
| prostaglandin G1 (CHEBI:133793) is a prostaglandins G (CHEBI:26343) |
| prostaglandin G1 (CHEBI:133793) is conjugate acid of prostaglandin G1(1−) (CHEBI:133084) |
| Incoming Relation(s) |
| prostaglandin G1(1−) (CHEBI:133084) is conjugate base of prostaglandin G1 (CHEBI:133793) |
| IUPAC Name |
|---|
| 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid |
| Synonym | Source |
|---|---|
| 9alpha,11alpha-Epidioxy-15(S)-hydroperoxy-13-trans-prostenoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013039 | HMDB |
| Citations |
|---|