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CHEBI:132469 - 2β-methylbacteriohopane-32,33,34,35-tetrol
| Formula | C36H64O4 |
| Net Charge | 0 |
| Average Mass | 560.904 |
| Monoisotopic Mass | 560.48046 |
| SMILES | [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])([C@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C[C@@H](C)C[C@]21C |
| InChI | InChI=1S/C36H64O4/c1-22-19-32(3,4)28-15-18-36(8)30(34(28,6)20-22)12-11-29-33(5)16-13-24(25(33)14-17-35(29,36)7)23(2)9-10-26(38)31(40)27(39)21-37/h22-31,37-40H,9-21H2,1-8H3/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36-/m1/s1 |
| InChIKey | PUIJQPKZJCMHTP-CDCGZTAOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus (ncbitaxon:1129) | - | PubMed (18397311) | |
| Rhodopseudomonas palustris (ncbitaxon:1076) | - | PubMed (17848515) | |
| Rhodopseudomonas palustris TIE-1 (ncbitaxon:395960) | - | PubMed (20421508) | Strain: TIE-1 |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2β-methylbacteriohopane-32,33,34,35-tetrol (CHEBI:132469) has functional parent bacteriohopane-32,33,34,35-tetrol (CHEBI:132468) |
| 2β-methylbacteriohopane-32,33,34,35-tetrol (CHEBI:132469) has role bacterial metabolite (CHEBI:76969) |
| 2β-methylbacteriohopane-32,33,34,35-tetrol (CHEBI:132469) is a hopanoid (CHEBI:51963) |
| 2β-methylbacteriohopane-32,33,34,35-tetrol (CHEBI:132469) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (2S,3S,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol |
| Synonyms | Source |
|---|---|
| 2-methylbacteriohopanetetrol | ChEBI |
| 2β-methylbacteriohopanetetrol | ChEBI |
| 2-methylbacteriohopane-32,33,34,35-tetrol | ChEBI |
| Citations |
|---|