Chem
J-GLOBAL ID：200907013897210597   Nikkaji number：J2.717.077C

Fumonisin B1

フモニシンB1
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H59NO15
Molecular formula furigana： C34-H59-N-O15
Molecular weight： 721.838
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
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)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
Systematic name  (3)：
  • 4,4′-[[(2S,3S,5R,10R,12S,14S,15R,16R)-2-アミノ-3,5,10-トリヒドロキシ-12,16-ジメチルイコサン-14,15-ジイル]ビスオキシ]ビス[(R)-4-オキソブタン-1,2-ジカルボン酸]
  • (2R)-2-(2-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-アミノ-6-{[(3R)-3,4-ジカルボキシブタノイル]オキシ}-11,16,18-トリヒドロキシ-5,9-ジメチルイコサン-7-イル]オキシ}-2-オキソエチル)ブタン二酸
  • (2R)-2-(2-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-{[(3R)-3,4-dicarboxybutanoyl]oxy}-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid
Other name (5)：
  • フモニシンB1
  • フモニシンB1
  • Fumonisin B1
  • 4,4′-[[(2S,3S,5R,10R,12S,14S,15R,16R)-2-Amino-3,5,10-trihydroxy-12,16-dimethylicosane-14,15-diyl]bisoxy]bis[(R)-4-oxobutane-1,2-dicarboxylic acid]
  • Fumonisin B1
CAS registry number： 116355-83-0
Application (1)：
mycotoxin
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