CHEBI:30305 - N-methylanthraniloyl-CoA

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ChEBI Name N-methylanthraniloyl-CoA
ChEBI ID CHEBI:30305
ChEBI ASCII Name N-methylanthraniloyl-CoA
Definition An aroyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of N-methylanthranilic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12607, CHEBI:29645
Supplier Information
Download Molfile XML SDF
Formula C29H43N8O17P3S
Net Charge 0
Average Mass 900.68272
Monoisotopic Mass 900.16797
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)/t18-,21-,22-,23+,27-/m1/s1
InChIKey DYCZFHXLKCLDQL-SXQYHYLKSA-N
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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-methylanthraniloyl-CoA (CHEBI:30305) has functional parent N-methylanthranilic acid (CHEBI:16394)
N-methylanthraniloyl-CoA (CHEBI:30305) has functional parent coenzyme A (CHEBI:15346)
N-methylanthraniloyl-CoA (CHEBI:30305) is a aroyl-CoA (CHEBI:61940)
N-methylanthraniloyl-CoA (CHEBI:30305) is conjugate acid of N-methylanthraniloyl-CoA(4−) (CHEBI:58630)
Incoming N-methylanthraniloyl-CoA(4−) (CHEBI:58630) is conjugate base of N-methylanthraniloyl-CoA (CHEBI:30305)
IUPAC Name
3'-phosphoadenosine 5'-{3-[3-hydroxy-2,2-dimethyl-4-({3-[(2-{[2-(methylamino)benzoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
N-Methylanthraniloyl-CoA KEGG COMPOUND
N-methylanthraniloyl-coenzyme A ChEBI
N-methylanthranilyl-CoA ChEBI
N-methylanthranilyl-coenzyme A ChEBI
S-[2-(methylamino)benzoyl]-coenzyme A ChEBI
Manual Xref Database
C12092 KEGG COMPOUND
View more database links
Registry Number Type Source
11032524 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11054106 PubMed citation Europe PMC
15680984 PubMed citation Europe PMC
17165930 PubMed citation Europe PMC
Last Modified
04 August 2014