Compound Identification
SMILES
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)NC(C)=O)OC(=O)C[C@@H](CC(O)=O)C(O)=O
InChIKey
InChIKey=ADACAMXIRQREOB-LOQLDBEDSA-N
Formula
C36H61NO16
Mass
763.875
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
- Subclass Fumonisins
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Fumonisins
Intermediate Tree Nodes
Not available
Direct Parent
Fumonisins
Alternative Parents
Hexacarboxylic acids and derivatives Fatty acid esters Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Polyols Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fumonisin-skeleton - Fumonisin skeleton - Hexacarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fumonisins. These are diesters of propane-1,2,3-tricarboxylic acid (TCA) and similar long-chain aminopolyol backbones (for FB1: 2S-amino-12S,16R-dimethyl-3S,5R,10R,14S,15R-pentahydroxyeicosane). Structurally, fumonisins resemble the sphingoid bases sphinganine (SA) and sphingosine (SO) to which TCA groups have been added at the C-14 and C-15 positions.
External Descriptors
LIPIDMAPS (LMSP01080026) : Sphingoid base analogs