Compound Identification
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C)CCBr)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
InChIKey=SJWVIGUBKKFQGI-RUUAAKOQSA-N
Formula
C52H101BrNO7P
Mass
963.258
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Menthane monoterpenoids
-
Subclass
Monoterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Menthane monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Phosphoric diester monoamides Fatty acid esters Organic phosphoramides Dicarboxylic acids and derivatives Carboxylic acid esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Monocyclic monoterpenoid - P-menthane monoterpenoid - Phosphoric diester monoamide - Fatty acid ester - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Fatty acyl - Organic phosphoric acid amide - Phosphoric acid ester - Carboxylic acid ester - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organooxygen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors
Not available