EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H46O2 |
| Net Charge | 0 |
| Average Mass | 426.685 |
| Monoisotopic Mass | 426.34978 |
| SMILES | [H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)[C@]2(C)C=O |
| InChI | InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | GFGANDKVOKQAGH-FSDUGWFMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4β-formyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol (CHEBI:143573) has functional parent 4β-hydroxymethyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol (CHEBI:143572) |
| 4β-formyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol (CHEBI:143573) is a 3β-hydroxy-4β-formyl-4α-methylsteroid (CHEBI:143568) |
| UniProt Name | Source |
|---|---|
| 4β-formylmethyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21729 | MetaCyc |
| Citations |
|---|