CHEBI:188490 - 2-methoxybenzoyl-CoA(1−)

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ChEBI Name 2-methoxybenzoyl-CoA(1−)
ChEBI ID CHEBI:188490
ChEBI ASCII Name 2-methoxybenzoyl-CoA(1-)
Definition Tetraanion of 2-methoxybenzoyl-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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H38N7O18P3S
Net Charge -4
Average Mass 897.640
Monoisotopic Mass 897.12288
InChI InChI=1S/C29H42N7O18P3S/c1-29(2,23(39)26(40)32-9-8-19(37)31-10-11-58-28(41)16-6-4-5-7-17(16)49-3)13-51-57(47,48)54-56(45,46)50-12-18-22(53-55(42,43)44)21(38)27(52-18)36-15-35-20-24(30)33-14-34-25(20)36/h4-7,14-15,18,21-23,27,38-39H,8-13H2,1-3H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,21-,22-,23+,27-/m1/s1
InChIKey XFIDDJIBDPQXNT-SXQYHYLKSA-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)C=4C=CC=CC4OC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 2-methoxybenzoyl-CoA(1−) (CHEBI:188490) has functional parent O-methylsalicylate (CHEBI:59128)
2-methoxybenzoyl-CoA(1−) (CHEBI:188490) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
2-methoxybenzoyl-CoA UniProt