Fumonisin B1

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Systematic / IUPAC Name: (2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid

ID: Reference1220

Other Names: (R)-3-Carboxy-pentanedioic acid mono-{(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-((R)-3,4-dicarboxy-butyryloxy)-2-methyl-hexyl]-5,10,12-trihydroxy-3-methyl-tetradecyl} ester;
Fumonisin B1;
Macrofusine;
FB1

Formula: C34H59NO15

Class: Endogenous Metabolites Natural Toxins

Spectral Data

Fumonisin B1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/17/2016 1:12:00 PM
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Identificators

InChI InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
InChI Key UVBUBMSSQKOIBE-DSLOAKGESA-N
Canonical SMILES CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
CAS 116355830
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Other Names (R)-3-Carboxy-pentanedioic acid mono-{(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-((R)-3,4-dicarboxy-butyryloxy)-2-methyl-hexyl]-5,10,12-trihydroxy-3-methyl-tetradecyl} ester;
Fumonisin B1;
Macrofusine;
FB1

In Other Databases

ChEBI CHEBI:38221
PubChem 2733487
ChemSpider 21117736
Wikipedia Fumonisin B1