EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:142002 - gibberellin A61
| Formula | C19H24O5 |
| Net Charge | 0 |
| Average Mass | 332.396 |
| Monoisotopic Mass | 332.16237 |
| SMILES | [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@]23OC(=O)[C@]1(C)CC[C@H]3O |
| InChI | InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19+/m1/s1 |
| InChIKey | JKQCGVABHHQYKQ-YZVDRFENSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant hormone A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gibberellin A61 (CHEBI:142002) is a C19-gibberellin (CHEBI:20858) |
| gibberellin A61 (CHEBI:142002) is a gibberellin monocarboxylic acid (CHEBI:38305) |
| gibberellin A61 (CHEBI:142002) is a lactone (CHEBI:25000) |
| IUPAC Names |
|---|
| (1R,4R,4aR,4bR,7R,9aR,10S,10aR)-4-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid |
| 4β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid |
| Synonyms | Source |
|---|---|
| (1R,4R,4aR,4bR,7R,9aR,10S,10aR)-4-hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid | IUPAC |
| GA61 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5610655 | Reaxys |