CHEBI:188497 - 4-aminobenzoyl-CoA(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-aminobenzoyl-CoA(1−)
ChEBI ID CHEBI:188497
ChEBI ASCII Name 4-aminobenzoyl-CoA(1-)
Definition Tetraanion of 4-aminobenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C28H37N8O17P3S
Net Charge -4
Average Mass 882.630
Monoisotopic Mass 882.12322
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 ZWYJAROHSULCCL-TYHXJLICSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=C(C=C4)N)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 4-aminobenzoyl-CoA(1−) (CHEBI:188497) has functional parent 4-aminobenzoate (CHEBI:17836)
4-aminobenzoyl-CoA(1−) (CHEBI:188497) is a acyl-CoA(4−) (CHEBI:58342)
Synonyms Sources
4-aminobenzoyl-CoA UniProt
p-aminobenzoyl-CoA(1−) SUBMITTER