CHEBI:87085 - 35-aminobacteriohopane-30,31,32,33,34-pentol

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ChEBI Name 35-aminobacteriohopane-30,31,32,33,34-pentol ChEBI ID CHEBI:87085 Definition A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying an additional amino substituent at position 35. Isolated from Methylococcus capsulatus. 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 C35H63NO5 Net Charge 0 Average Mass 577.87840 Monoisotopic Mass 577.47062 InChI InChI=1S/C35H63NO5/c1-20(27(38)29(40)30(41)28(39)23(37)19-36)21-11-16-32(4)22(21)12-17-34(6)25(32)9-10-26-33(5)15-8-14-31(2,3)24(33)13-18-35(26,34)7/h20-30,37-41H,8-19,36H2,1-7H3/t20-,21+,22-,23-,24-,25+,26+,27+,28-,29+,30-,32-,33-,34+,35+/m0/s1 InChIKey NSCULDDFRWOMLE-IYFNNQAXSA-N SMILES C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C Metabolite of Species Details Methylococcus capsulatus (NCBI:txid243233) of strain Bath See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 35-aminobacteriohopane-30,31,32,33,34-pentol (CHEBI:87085) has role bacterial metabolite (CHEBI:76969) 35-aminobacteriohopane-30,31,32,33,34-pentol (CHEBI:87085) is a hopanoid (CHEBI:51963) 35-aminobacteriohopane-30,31,32,33,34-pentol (CHEBI:87085) is a pentol (CHEBI:37205) 35-aminobacteriohopane-30,31,32,33,34-pentol (CHEBI:87085) is a primary amino compound (CHEBI:50994) IUPAC Name (2S,3S,4R,5R,6R,7S)-1-amino-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5,6-pentol Synonym Source aminobacteriohopanepentol ChEBI Manual Xref Database LMPR04000009 LIPID MAPS View more database links Registry Number Type Source 99541-79-4 CAS Registry Number ChemIDplus Citation Type Source 22826256 PubMed citation SUBMITTER Last Modified 05 August 2015