Structure Information
Structure

Compound Identification

SMILES

CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)C(C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O

InChIKey

InChIKey=UVBUBMSSQKOIBE-PNDMSUBKSA-N

Formula

C34H59NO15

Mass

721.838

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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 - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Amino acid - Carboxylic acid - Polyol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Primary amine - Amine - Alcohol - Hydrocarbon derivative - 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

Not available

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