EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H48O2 |
| Net Charge | 0 |
| Average Mass | 428.701 |
| Monoisotopic Mass | 428.36543 |
| 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)CO |
| InChI | InChI=1S/C29H48O2/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/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | LEUVIESGHNFBEK-FSDUGWFMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4β-hydroxymethyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol (CHEBI:143572) has functional parent 14-demethyllanosterol (CHEBI:18364) |
| 4β-hydroxymethyl-4α-methyl-5α-cholesta-8,24-dien-3β-ol (CHEBI:143572) is a 3β-hydroxy-4β-hydroxymethyl-4α-methylsteroid (CHEBI:143566) |
| Incoming 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) |
| IUPAC Name |
|---|
| 4β-(hydroxymethyl)-4α-methyl-5α-cholesta-8,24-dien-3β-ol |
| UniProt Name | Source |
|---|---|
| 4β-hydroxymethyl-4α-methylzymosterol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21728 | MetaCyc |
| Citations |
|---|