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

ChEBI IDCHEBI:87085
ChEBI Name35-aminobacteriohopane-30,31,32,33,34-pentol
Stars
DefinitionA 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.
Last Modified5 August 2015
Submittergemma
DownloadsMolfile
FormulaC35H63NO5
Net Charge0
Average Mass577.891
Monoisotopic Mass577.47062
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])([C@H](C)[C@@H](O)[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
InChIInChI=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
InChIKeyNSCULDDFRWOMLE-IYFNNQAXSA-N
Species of MetaboliteComponentSourceComments
Methylococcus capsulatus (ncbitaxon:243233) - PubMed (22826256) Strain: Bath
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-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
aminobacteriohopanepentolChEBI
Manual XrefsDatabases
LMPR04000009LIPID MAPS
Registry NumbersSources
CAS:99541-79-4ChemIDplus
Citations