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

ChEBI IDCHEBI:87086
ChEBI Name35-amino-3-methylbacteriohopane-30,31,32,33,34-pentol
Stars
DefinitionA 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.
Last Modified5 August 2015
Submittergemma
DownloadsMolfile
FormulaC36H65NO5
Net Charge0
Average Mass591.918
Monoisotopic Mass591.48627
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)[C@@H](C)CC[C@]21C
InChIInChI=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
InChIKeyNYINOFIIAOPILH-DFPHJZBSSA-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-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  Source
3-methylaminobacteriohopanepentolChEBI
AMBHPChemIDplus
Registry NumbersSources
CAS:99541-80-7ChemIDplus
Citations