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CHEBI:87088 - 35-amino-3-methylbacteriohopane-31,32,33,34-tetrol

Default Structure
ChEBI IDCHEBI:87088
ChEBI Name35-amino-3-methylbacteriohopane-31,32,33,34-tetrol
Stars
DefinitionA member of the class of hopanoids that is bacteriohopane-31,32,33,34-tetrol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsulatus.
Last Modified4 August 2015
Submittergemma
DownloadsMolfile
FormulaC36H65NO4
Net Charge0
Average Mass575.919
Monoisotopic Mass575.49136
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])([C@H](C)C[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/C36H65NO4/c1-21(19-25(38)30(40)31(41)26(39)20-37)23-12-16-33(5)24(23)13-17-35(7)28(33)9-10-29-34(6)15-11-22(2)32(3,4)27(34)14-18-36(29,35)8/h21-31,38-41H,9-20,37H2,1-8H3/t21-,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,33+,34+,35-,36-/m1/s1
InChIKeyLXCCETYVLGBVIO-SWYNUEEWSA-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-31,32,33,34-tetrol (CHEBI:87088) has role bacterial metabolite (CHEBI:76969)
35-amino-3-methylbacteriohopane-31,32,33,34-tetrol (CHEBI:87088) is a hopanoid (CHEBI:51963)
35-amino-3-methylbacteriohopane-31,32,33,34-tetrol (CHEBI:87088) is a primary amino compound (CHEBI:50994)
35-amino-3-methylbacteriohopane-31,32,33,34-tetrol (CHEBI:87088) is a tetrol (CHEBI:33573)
Synonyms  Source
(2S,3S,4R,5R,7R)-1-amino-7-[(3R,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-tetrolIUPAC
3-methylaminobacteriohopanetetrolChEBI
Citations