N-methylanthraniloyl-CoA
Chemical Formula:
C29H39N8O17P3S
Molecular Weight:
896.652 Daltons
Monoisotopic Mass:
900.1679722176 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C=CC=CC(NC)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
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:
Databases
MetaCyc:
N-METHYLANTHRANILOYL-COA
ChEBI:
58630
PubChem (CID):
45266702
KEGG:
C12092
Seed:
cpd08876
MetaNetX:
MNXM3070