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

ChEBI IDCHEBI:58630
ChEBI NameN-methylanthraniloyl-CoA(4−)
Stars
ASCII NameN-methylanthraniloyl-CoA(4-)
DefinitionAn acylCoA(4−) that is the tetraanion of N-methylanthraniloyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Last Modified3 February 2012
DownloadsMolfile
FormulaC29H39N8O17P3S
Net Charge-4
Average Mass896.659
Monoisotopic Mass896.13887
SMILESCNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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
InChIKeyDYCZFHXLKCLDQL-SXQYHYLKSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
N-methylanthraniloyl-CoA tetraanionChEBI
N-methylanthraniloyl-coenzyme A(4−)ChEBI
S-(2-aminobenzoyl)-CoA(4−)ChEBI
UniProt Name  Source
N-methylanthraniloyl-CoAUniProt