Compound Identification
SMILES
CC(CCC(O)C(O)C(O)CNC(=O)C(N)CC1=CNC2=CC=CC=C12)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C
InChIKey
InChIKey=XTJANJPNCSBRIB-XYDBGSQQSA-N
Formula
C46H73N3O4
Mass
732.107
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Hopanoids
- Level 5 Bacteriohopanoids
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Subclass
Hopanoids
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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 Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Aralkylamines Substituted pyrroles Fatty amides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-diols Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sesquaterpenoid - Bacteriohopane skeleton - 27-hydroxysteroid - 25-hydroxysteroid - 24-hydroxysteroid - Steroid - Alpha-amino acid amide - Triptan - 3-alkylindole - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Substituted pyrrole - Fatty amide - Fatty acyl - Heteroaromatic compound - Pyrrole - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - 1,2-diol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Primary amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic 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 (LMPR04000016) : Hopanoids