input word = C00052041

Metabolite InformationStructural formula
Name N-Methyl anthraniloyl-CoA
Formula C29H39N8O17P3S-4
Mw 736.27631843
CAS RN
C_ID C00052041
InChIKey DYCZFHXLKCLDQL-OLZNBMNJSA-J
InChICode 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?/m0/s1
SMILES O=C(SCCNC(CCNC([C@H](O)C(C)(C)COP(OP(OCC1[C@H](OP([O-])([O-])=O)[C@H](O)[C@H](N2C(N=CN=C3N)=C3N=C2)O1)([O-])=O)([O-])=O)=O)=O)C4=CC=CC=C4NC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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