35-amino-3-methylbacteriohopane-31,32,33,34-tetrol
A 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.
Also appears inslm
Related Synonyms
(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-tetrol
3-methylaminobacteriohopanetetrol
class Information
charge
0
formula
C36H65NO4
has_dbxref
has_obo_namespace
chebi_ontology
inchi
InChI=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
inchikey
LXCCETYVLGBVIO-SWYNUEEWSA-N
in_subset
mass
575.90560
monoisotopicmass
575.49136
smiles
C[C@H](C[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