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CHEBI:87087 - 35-aminobacteriohopane-31,32,33,34-tetrol
| Formula | C35H63NO4 |
| Net Charge | 0 |
| Average Mass | 561.892 |
| Monoisotopic Mass | 561.47571 |
| SMILES | [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])([C@H](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C |
| InChI | InChI=1S/C35H63NO4/c1-21(19-24(37)29(39)30(40)25(38)20-36)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,37-40H,8-20,36H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,32+,33+,34-,35-/m1/s1 |
| InChIKey | DHHKTEPKISBNFR-RGFQUCLPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Methylococcus capsulatus (ncbitaxon:243233) | - | PubMed (22826256) | Strain: Bath |
| Desulfovibrio (ncbitaxon:872) | - | PubMed (16817930) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 35-aminobacteriohopane-31,32,33,34-tetrol (CHEBI:87087) has role bacterial metabolite (CHEBI:76969) |
| 35-aminobacteriohopane-31,32,33,34-tetrol (CHEBI:87087) is a hopanoid (CHEBI:51963) |
| 35-aminobacteriohopane-31,32,33,34-tetrol (CHEBI:87087) is a primary amino compound (CHEBI:50994) |
| 35-aminobacteriohopane-31,32,33,34-tetrol (CHEBI:87087) is a tetrol (CHEBI:33573) |
| IUPAC Name |
|---|
| (2S,3S,4R,5R,7R)-1-amino-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5-tetrol |
| Synonym | Source |
|---|---|
| aminobacteriohopanetetrol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMPR04000007 | LIPID MAPS |
| Citations |
|---|