ChemSpider 2D Image | FB1 | C34H59NO15

FB1

  • Molecular FormulaC34H59NO15
  • Average mass721.830 Da
  • Monoisotopic mass721.388489 Da
  • ChemSpider ID2015282
  • defined stereocentres - 10 of 10 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethyl-6,7-icosandiyl]bis[oxy(2-oxo-2,1-ethandiyl)]}dibernsteinsäure [German] [ACD/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 [ACD/IUPAC Name]
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
1,2,3-Propanetricarboxylic acid, 1-[(1S,3S,5R,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxy-1-oxobutoxy]-2-methylhexyl]-5,10,12-trihydroxy-3-methyltetradecyl] ester, (2R)- [ACD/Index Name]
116355-83-0 [RN]
Acide (2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-diméthyl-6,7-icosanediyl]bis[oxy(2-oxo-2,1-éthanediyl)]}disuccinique [French] [ACD/IUPAC Name]
FB1
Fumonisin B1
Fumonisin B1 from Fusarium moniliforme
Fumonisin B1 solution
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3ZZM97XZ32 [DBID]
34139_RIEDEL [DBID]
nchembio742-comp3 [DBID]
PN 200-110 | [DBID]
UNII:3ZZM97XZ32 [DBID]
UNII-3ZZM97XZ32 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2<stereo>S</stereo>,3<stereo>S< /stereo>,5<stereo>R</stereo>,10<stereo>R</stereo>,12<stereo>S</stereo>,14<stereo>S</stereo>,15<stereo>R</stereo>,16<stereo>R</stereo>)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. ChEBI CHEBI:38221
      A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3<stereo>S<; /stereo>,5R,10R ,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38221
    • Bio Activity:

      Enzymes Tocris Bioscience 3103
      Inhibitor of sphingosine N-acyltransferase Tocris Bioscience 3103
      Mycotoxin produced by Fusarium moniliforme. Potently inhibits sphingosine N-acyltransferase (ceramide synthase), causing an accumulation of sphingoid bases (IC50 ~ 75 nM). Also inhibits protein phosph atases; IC50 values are 80, 300, 400, 500 and 3000 ?M for PP5, PP2C?, PP2A, PP1?2 and PP2B respectively. Tocris Bioscience 3103
      Mycotoxin produced by Fusarium moniliforme. Potently inhibits sphingosine N-acyltransferase (ceramide synthase), causing an accumulation of sphingoid bases (IC50 ~ 75 nM). Also inhibits protein phosphatases; IC50 values are 80, 300, 400, 500 and 3000 ?M for PP5, PP2C?, PP2A, PP1?2 and PP2B respectively. Tocris Bioscience 3103
      Mycotoxin produced by Fusarium moniliforme. Potently inhibits sphingosine N-acyltransferase (ceramide synthase), causing an accumulation of sphingoid bases (IC50 ~ 75 nM). Also inhibits protein phosphatases; IC50 values are 80, 300, 400, 500 and 3000 muM for PP5, PP2Calpha, PP2A, PP1gamma2 and PP2B respectively. Tocris Bioscience 3103
      Other Transferases Tocris Bioscience 3103
      Transferases Tocris Bioscience 3103

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 924.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.7±6.0 kJ/mol
Flash Point: 513.2±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 575.2±3.0 cm3

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