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CHEBI:29601 - gibberellin A53 aldehyde
| Formula | C20H28O4 |
| Net Charge | 0 |
| Average Mass | 332.440 |
| Monoisotopic Mass | 332.19876 |
| SMILES | [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C=O)[C@@]1([H])[C@@]2(C)CCC[C@@]1(C)C(=O)O |
| InChI | InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1 |
| InChIKey | DHEPJQQWDJWPJY-XQIDNCIUSA-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 A53 aldehyde (CHEBI:29601) has functional parent gibberellin A53 (CHEBI:27433) |
| gibberellin A53 aldehyde (CHEBI:29601) is a C20-gibberellin (CHEBI:20859) |
| gibberellin A53 aldehyde (CHEBI:29601) is a gibberellin monocarboxylic acid (CHEBI:38305) |
| IUPAC Names |
|---|
| (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid |
| 10β-formyl-7-hydroxy-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α-carboxylic acid |
| Synonym | Source |
|---|---|
| Gibberellin A53 aldehyde | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11905 | KEGG COMPOUND |
| LMPR0104170029 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5121643 | Reaxys |
| CAS:85344-33-8 | KEGG COMPOUND |