EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H23O6 |
| Net Charge | -1 |
| Average Mass | 347.387 |
| Monoisotopic Mass | 347.15001 |
| SMILES | [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)[O-])[C@@]1([H])[C@@]23CC[C@H](O)[C@@]1(C)C(=O)O3 |
| InChI | InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/p-1/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 |
| InChIKey | JLJLRLWOEMWYQK-OBDJNFEBSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gibberellin A1(1−) (CHEBI:58524) has role human metabolite (CHEBI:77746) |
| gibberellin A1(1−) (CHEBI:58524) is a gibberellin carboxylic acid anion (CHEBI:59139) |
| gibberellin A1(1−) (CHEBI:58524) is conjugate base of gibberellin A1 (CHEBI:27717) |
| Incoming Relation(s) |
| gibberellin A1 (CHEBI:27717) is conjugate acid of gibberellin A1(1−) (CHEBI:58524) |
| IUPAC Names |
|---|
| (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate |
| 2β,7α-dihydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylate |
| UniProt Name | Source |
|---|---|
| gibberellin A1 | UniProt |