EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204842 - Phlebic acid D
| Formula | C32H52O5 |
| Net Charge | 0 |
| Average Mass | 516.763 |
| Monoisotopic Mass | 516.38147 |
| SMILES | CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@@]3(C(=O)O)[C@]12C |
| InChI | InChI=1S/C32H52O5/c1-19(33)37-25-18-24-27(2,3)14-9-15-30(24,7)22-10-11-23-29(6)16-12-20(28(4,5)36)21(29)13-17-32(23,26(34)35)31(22,25)8/h20-25,36H,9-18H2,1-8H3,(H,34,35)/t20-,21-,22+,23+,24-,25-,29-,30+,31-,32+/m0/s1 |
| InChIKey | CCFGPRRGUHMMGS-DQGGKBSHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Peltigera aphthosa (ncbitaxon:52881) | - | DOI (10.1016/0031-9422(90)85124-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phlebic acid D (CHEBI:204842) is a hopanoid (CHEBI:51963) |
| IUPAC Name |
|---|
| (3S,3aS,5aS,5bR,6S,7aS,11aS,11bR,13aR,13bS)-6-acetyloxy-3-(2-hydroxypropan-2-yl)-5b,8,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437202 | ChemSpider |