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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 of FUMONISIN A1

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

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.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Fumonisin toxicity and sphingolipid biosynthesis.
1996
Identification and quantification of fumonisin A1, A2, and A3 in corn by high-resolution liquid chromatography-orbitrap mass spectrometry.
2015 Feb 16
A method for simultaneous determination of 20 Fusarium toxins in cereals by high-resolution liquid chromatography-Orbitrap mass spectrometry with a pentafluorophenyl column.
2015 May 14
Patents

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 Fri Dec 15 19:43:52 GMT 2023
Edited
by admin
on Fri Dec 15 19:43:52 GMT 2023
Record UNII
TA422003JX
Record Status Validated (UNII)
Record Version
  • Download
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)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40151782
Created by admin on Fri Dec 15 19:43:52 GMT 2023 , Edited by admin on Fri Dec 15 19:43:52 GMT 2023
PRIMARY
MESH
C092631
Created by admin on Fri Dec 15 19:43:52 GMT 2023 , Edited by admin on Fri Dec 15 19:43:52 GMT 2023
PRIMARY
CAS
117415-48-2
Created by admin on Fri Dec 15 19:43:52 GMT 2023 , Edited by admin on Fri Dec 15 19:43:52 GMT 2023
PRIMARY
FDA UNII
TA422003JX
Created by admin on Fri Dec 15 19:43:52 GMT 2023 , Edited by admin on Fri Dec 15 19:43:52 GMT 2023
PRIMARY
PUBCHEM
5486176
Created by admin on Fri Dec 15 19:43:52 GMT 2023 , Edited by admin on Fri Dec 15 19:43:52 GMT 2023
PRIMARY