CHEBI:132469 - 2β-methylbacteriohopane-32,33,34,35-tetrol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2β-methylbacteriohopane-32,33,34,35-tetrol ChEBI ID CHEBI:132469 ChEBI ASCII Name 2beta-methylbacteriohopane-32,33,34,35-tetrol Definition A hopanoid that consists of bacteriohopane-32,33,34,35-tetrol carrying an additional methyl substituent at the 2β-position. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H64O4 Net Charge 0 Average Mass 560.892 Monoisotopic Mass 560.48046 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 SMILES C([C@H]([C@@H](O)[C@H](CO)O)O)C[C@H]([C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]5(C[C@@H](CC([C@@]5(CC[C@]4([C@@]3(CC[C@@]12[H])C)C)[H])(C)C)C)C)[H])[H])C)[H])C Metabolite of Species Details Rhodopseudomonas palustris (NCBI:txid1076) See: PubMed Synechococcus (NCBI:txid1129) See: PubMed Rhodopseudomonas palustris TIE-1 (NCBI:txid395960) of strain TIE-1 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2-methylbacteriohopane-32,33,34,35-tetrol ChEBI 2-methylbacteriohopanetetrol ChEBI 2β-methylbacteriohopanetetrol ChEBI Citations Types Sources 17848515 PubMed citation Europe PMC 18397311 PubMed citation Europe PMC 20421508 PubMed citation Europe PMC 24888970 PubMed citation SUBMITTER Last Modified 09 November 2016