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Substance Name: Fumonisin A1
RN: 117415-48-2
UNII: TA422003JX
InChIKey: ADACAMXIRQREOB-XUJMDKETSA-N

Molecular Formula

  • C36-H61-N-O16

Molecular Weight

  • 763.869
 
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Names and Synonyms

Name of Substance

  • Fumonisin A1

Synonyms

  • 1,1'-(1-(12-Acetylamino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) 1,2,3-propanetricarboxylate
  • UNII-TA422003JX

Systematic Name

  • 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)-

Registry Numbers

CAS Registry Number

  • 117415-48-2

FDA UNII

  • TA422003JX

System Generated Number

  • 0117415482

Structure Descriptors

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

InChIKey

ADACAMXIRQREOB-XUJMDKETSA-N

Smiles

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