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MetaCyc Compound: 4-aminobenzoyl-CoA

Synonyms: PABA-CoA, 4-aminobenzoyl-coenzyme A, p-aminobenzoyl-coenzyme A, p-aminobenzoyl-CoA

Citations: [Martin09]

Chemical Formula: C28H37N8O17P3S

Molecular Weight: 882.62 Daltons

Monoisotopic Molecular Weight: 886.1523221534 Daltons

SMILES: CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C=CC(N)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI: InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1

InChIKey: InChIKey=ZWYJAROHSULCCL-TYHXJLICSA-J

Unification Links: PubChem:52940118

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -438.29053 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

candicidin biosynthesis :
4-aminobenzoyl-CoA → candicidin D

Reactions known to produce the compound:

candicidin biosynthesis :
4-aminobenzoate + ATP + coenzyme A → 4-aminobenzoyl-CoA + ADP + phosphate

Credits:
Created 14-Feb-2011 by Pujar A , Boyce Thompson Institute


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Martin09: Martin JF, Aparicio JF (2009). "Enzymology of the polyenes pimaricin and candicidin biosynthesis." Methods Enzymol 459;215-42. PMID: 19362642


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Thu Nov 20, 2014, BIOCYC14B.