N-methylanthraniloyl-CoA (CHEBI:30305)

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CHEBI:30305 - N-methylanthraniloyl-CoA

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ChEBI ID	CHEBI:30305
ChEBI Name	N-methylanthraniloyl-CoA
Stars
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.
Secondary ChEBI IDs	CHEBI:12607, CHEBI:29645
Last Modified	3 August 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C29H43N8O17P3S
Net Charge	0
Average Mass	900.691
Monoisotopic Mass	900.16797
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
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

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
N-Methylanthraniloyl-CoA	KEGG COMPOUND
N-methylanthraniloyl-coenzyme A	ChEBI
S-[2-(methylamino)benzoyl]-coenzyme A	ChEBI
N-methylanthranilyl-CoA	ChEBI
N-methylanthranilyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C12092	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:11032524	Reaxys

Citations