CHEBI:88118 - 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4−)

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ChEBI Name 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4−) ChEBI ID CHEBI:88118 ChEBI ASCII Name 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4-) Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,3-epoxy-2,3-dihydrobenzoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H36N7O18P3S Net Charge -4 Average Mass 883.610 Monoisotopic Mass 883.10723 InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(38)25(39)31-7-6-17(36)30-8-9-57-27(40)14-4-3-5-15-20(14)50-15)11-49-56(46,47)53-55(44,45)48-10-16-21(52-54(41,42)43)19(37)26(51-16)35-13-34-18-23(29)32-12-33-24(18)35/h3-5,12-13,15-16,19-22,26,37-38H,6-11H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t15?,16-,19-,20?,21-,22+,26-/m1/s1 InChIKey LPLMOOBQLPTXLP-XOADNVFSSA-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=CC5C4O5)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4−) (CHEBI:88118) is a acyl-CoA(4−) (CHEBI:58342) 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4−) (CHEBI:88118) is conjugate base of 2,3-epoxy-2,3-dihydrobenzoyl-CoA (CHEBI:90162) Incoming 2,3-epoxy-2,3-dihydrobenzoyl-CoA (CHEBI:90162) is conjugate acid of 2,3-epoxy-2,3-dihydrobenzoyl-CoA(4−) (CHEBI:88118) Synonyms Sources 2,3-epoxy-2,3-dihydrobenzoyl-CoA UniProt 2,3-epoxy-2,3-dihydrobenzoyl-coenzyme A(4−) ChEBI Last Modified 02 November 2015