EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:216594 - Leucotylic acid
| Formula | C30H50O4 |
| Net Charge | 0 |
| Average Mass | 474.726 |
| Monoisotopic Mass | 474.37091 |
| SMILES | CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@]21C |
| InChI | InChI=1S/C30H50O4/c1-25(2,34)18-11-15-27(4)22-10-9-21-26(3)13-8-14-28(5,24(32)33)20(26)12-16-29(21,6)30(22,7)17-19(31)23(18)27/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30+/m0/s1 |
| InChIKey | UVMOVHJYWYVSKR-FLPYHIANSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cladosporiumspecies (ncbitaxon:1707700) | - | PubMed (5967162) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leucotylic acid (CHEBI:216594) is a hopanoid (CHEBI:51963) |
| IUPAC Name |
|---|
| (3S,3aS,4S,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bR)-4-hydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438645 | ChemSpider |