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Escherichia coli K-12 substr. MG1655 Compound: digitonin

Synonyms: digitin

Superclasses: all carbohydrates a carbohydrate a glycan a carbohydrate derivative a glycoside

Chemical Formula: C56H92O29

Molecular Weight: 1229.3 Daltons

Monoisotopic Molecular Weight: 1228.5724269941 Daltons

digitonin compound structure

SMILES: CC1(CCC2(OC1)(O[CH]3([CH](C(C)2)C4(C)([CH](C(O)3)[CH]5([CH](CC4)C%11(C)([CH](CC5)CC(OC%10(C(O)C(O)C(OC9(OC(CO)C(O)C(OC6(OCC(O)C(O)C(O)6))C(OC8(OC(CO)C(O)C(OC7(OC(CO)C(O)C(O)C(O)7))C(O)8))9))C(CO)O%10))C(O)C%11))))))

InChI: InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1

InChIKey: InChIKey=UVYVLBIGDKGWPX-XJVHMSFUSA-N

Unification Links: ChEBI:27729 , ChemSpider:5020641 , PubChem:6537502

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -905.25

Enzymes activated by digitonin, sorted by the type of activation, are:

Activator (Mechanism unknown) of: CTP:2,3,4-saturated L-phosphatidate cytidylyltransferase [Langley78a, Comment 1]


References

Langley78a: Langley KE, Kennedy EP (1978). "Partial purification and properties of CTP:phosphatidic acid cytidylyltransferase from membranes of Escherichia coli." J Bacteriol 1978;136(1);85-95. PMID: 30751


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 19.0 on Mon Aug 31, 2015, biocyc14.