Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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