CHEBI:87086 - 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol

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ChEBI Name 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol ChEBI ID CHEBI:87086 Definition A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying additional methyl and amino substituents at positions 3 and 35 respectively. 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 C36H65NO5 Net Charge 0 Average Mass 591.90500 Monoisotopic Mass 591.48627 InChI InChI=1S/C36H65NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h20-31,38-42H,9-19,37H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,33-,34-,35+,36+/m0/s1 InChIKey NYINOFIIAOPILH-DFPHJZBSSA-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)CC[C@H](C)C(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-amino-3-methylbacteriohopane-30,31,32,33,34-pentol (CHEBI:87086) has role bacterial metabolite (CHEBI:76969) 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol (CHEBI:87086) is a hopanoid (CHEBI:51963) 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol (CHEBI:87086) is a pentol (CHEBI:37205) 35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol (CHEBI:87086) is a primary amino compound (CHEBI:50994) IUPAC Name (2S,3S,4R,5R,6R,7S)-1-amino-7-[(3S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4,5,6-pentol Synonyms Sources 3-methylaminobacteriohopanepentol ChEBI AMBHP ChemIDplus Registry Number Type Source 99541-80-7 CAS Registry Number ChemIDplus Citation Type Source 22826256 PubMed citation SUBMITTER Last Modified 05 August 2015