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CHEBI:168659 - 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol
| Formula | C29H46O3 |
| Net Charge | 0 |
| Average Mass | 442.684 |
| Monoisotopic Mass | 442.34470 |
| SMILES | [H][C@@]12CCC3=C(CC[C@@]4(C)C3CCC4[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O |
| InChI | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1 |
| InChIKey | MYWAIWDQTCHPTH-YCIQJMEESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gallus gallus (ncbitaxon:9031) | blood plasma (BTO:0000131) | MetaboLights (MTBLS1274) | |
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol (CHEBI:168659) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,4S,5R,10S,13R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 30792017 | ChemSpider |
| C15808 | KEGG COMPOUND |
| CPD-4577 | MetaCyc |
| HMDB0001181 | HMDB |