Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 23:17:29 UTC |
---|
Update Date | 2022-03-07 02:55:36 UTC |
---|
HMDB ID | HMDB0038013 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Gibberellin A120 |
---|
Description | Gibberellin A120, also known as 1,2-didehydro GA9 or GA120, belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. Based on a literature review a small amount of articles have been published on Gibberellin A120. |
---|
Structure | [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)CC=C[C@@]21OC3=O InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1 |
---|
Synonyms | Value | Source |
---|
1,2-Didehydro ga9 | HMDB | 1,2-Didehydrogibberellin a9 | HMDB | GA120 | HMDB | Gibberellin A120 | HMDB |
|
---|
Chemical Formula | C19H22O4 |
---|
Average Molecular Weight | 314.381 |
---|
Monoisotopic Molecular Weight | 314.151809188 |
---|
IUPAC Name | (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid |
---|
Traditional Name | (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid |
---|
CAS Registry Number | 59102-35-1 |
---|
SMILES | [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)CC=C[C@@]21OC3=O |
---|
InChI Identifier | InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1 |
---|
InChI Key | WKDIZCSRKTURDM-YGNOGLJPSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Diterpenoids |
---|
Direct Parent | C19-gibberellin 6-carboxylic acids |
---|
Alternative Parents | |
---|
Substituents | - 20-norgibberellane-6-carboxylic acid
- Diterpene lactone
- Gamma butyrolactone
- Dicarboxylic acid or derivatives
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | | Show more...
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
---|
DeepCCS | [M-2H]- | 209.991 | 30932474 | DeepCCS | [M+Na]+ | 185.853 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
---|