CHEBI:58630 - N-methylanthraniloyl-CoA(4−)

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ChEBI Name N-methylanthraniloyl-CoA(4−)
ChEBI ID CHEBI:58630
ChEBI ASCII Name N-methylanthraniloyl-CoA(4-)
Definition An acylCoA(4−) that is the tetraanion of N-methylanthraniloyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H39N8O17P3S
Net Charge -4
Average Mass 896.65000
Monoisotopic Mass 896.13887
InChI InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/p-4/t18-,21-,22-,23+,27-/m1/s1
InChIKey DYCZFHXLKCLDQL-SXQYHYLKSA-J
SMILES CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing N-methylanthraniloyl-CoA(4−) (CHEBI:58630) is a acyl-CoA(4−) (CHEBI:58342)
N-methylanthraniloyl-CoA(4−) (CHEBI:58630) is conjugate base of N-methylanthraniloyl-CoA (CHEBI:30305)
Incoming N-methylanthraniloyl-CoA (CHEBI:30305) is conjugate acid of N-methylanthraniloyl-CoA(4−) (CHEBI:58630)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[3-hydroxy-2,2-dimethyl-4-({3-[(2-{[2-(methylamino)benzoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
N-methylanthraniloyl-CoA UniProt
N-methylanthraniloyl-CoA tetraanion ChEBI
N-methylanthraniloyl-coenzyme A(4−) ChEBI
S-(2-aminobenzoyl)-CoA(4−) ChEBI
Last Modified
03 February 2012