Compound Identification
SMILES
CC(CCC(O)C(O)C(O)COC(N)=O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C
InChIKey
InChIKey=IJJMTQSOTJFUOJ-VEJRBLLVSA-N
Formula
C36H63NO5
Mass
589.902
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Hopanoids
- Level 5 Bacteriohopanoids
-
Subclass
Hopanoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Hopanoids
Intermediate Tree Nodes
Not available
Direct Parent
Bacteriohopanoids
Alternative Parents
Sesquaterpenoids Hydroxysteroids Monosaccharides Carbamate esters Secondary alcohols 1,2-diols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bacteriohopane skeleton - Sesquaterpenoid - 27-hydroxysteroid - 25-hydroxysteroid - 24-hydroxysteroid - Steroid - Monosaccharide - Carbamic acid ester - 1,2-diol - Secondary alcohol - Polyol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bacteriohopanoids. These are bacterial terpenoids structurally characterized by a C30 skeleton, which is usually conjugated to a C5 (usually hydroxylated) unit linked by a carbon-carbon bond.
External Descriptors
LIPIDMAPS (LMPR04000014) : Hopanoids