FUMONISIN A1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H61NO16
Molecular Weight	763.8666
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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

InChI

InChIKey=ADACAMXIRQREOB-XUJMDKETSA-N

InChI=1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)/t20-,21+,22+,24+,25+,26+,27-,28+,29-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H61NO16
Molecular Weight	763.8666
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8470138

Fumonisins A1, A2, B1, B2 and B3 are a series of mycotoxins produced by strains of Fusarium moniliforme. Fumonisins are hydroxylated long-chain alkylamines esterified with propanetricarboxylic acid moieties that represent approximately half the mol. wt of the toxins. The A-series fumonisins are N-acetylated.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
A method for simultaneous determination of 20 Fusarium toxins in cereals by high-resolution liquid chromatography-Orbitrap mass spectrometry with a pentafluorophenyl column.	2015-05-14	26008230
Identification and quantification of fumonisin A1, A2, and A3 in corn by high-resolution liquid chromatography-orbitrap mass spectrometry.	2015-02-16	25690692
Fumonisin toxicity and sphingolipid biosynthesis.	1996	8850625

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Fumonisin A1 demonstrated no detectable cytotoxicity at 132 uM towards NIH3T3, MDCK, H4TG cell lines.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:55:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:55:12 GMT 2025`
Record UNII	TA422003JX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FUMONISIN A1

Common Name

English

1,2,3-PROPANETRICARBOXYLIC ACID, 1,1'-(1-((2S,4R,9R,11S,12S)-12- ACETYLAMINO-4,9,11-TRIHYDROXY-2-METHYLTRIDECYL)-2-((1R)-1-METHYLPENTYL)-1,2-ETHANEDIYL) ESTER,(2R,2'R)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID40151782