EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:83048 - 4,4'-diaponeurosporenoic acid
| Formula | C30H40O2 |
| Net Charge | 0 |
| Average Mass | 432.648 |
| Monoisotopic Mass | 432.30283 |
| SMILES | CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O |
| InChI | InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+ |
| InChIKey | NXJSQJIGCCIMAE-ORIYTCASSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Staphylococcus aureus (ncbitaxon:1280) | - | PubMed (15933032) | Strain: ATCC 35556 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) has parent hydride 4,4'-diapolycopene (CHEBI:62449) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) has role bacterial metabolite (CHEBI:76969) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) is a apo carotenoid triterpenoid (CHEBI:36783) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) is a olefinic compound (CHEBI:78840) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 4,4'-diaponeurosporenoic acid (CHEBI:83048) is conjugate acid of 4,4'-diaponeurosporenoate (CHEBI:79064) |
| Incoming Relation(s) |
| 4,4'-diaponeurosporenoate (CHEBI:79064) is conjugate base of 4,4'-diaponeurosporenoic acid (CHEBI:83048) |
| IUPAC Name |
|---|
| (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoic acid |
| Synonym | Source |
|---|---|
| 4,4'-diaponeurosporenic acid | KEGG COMPOUND |
| Citations |
|---|