input word = C00052029

Metabolite InformationStructural formula
Name 4-Methylpentanoyl-CoA
Formula C27H46N7O17P3S
Mw 865.1883733
CAS RN 89436-24-8
C_ID C00052029
InChIKey GESPQCUXDWNNGU-IPTJXISRSA-J
InChICode InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22-,26?/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)CCC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--- Ref.
zoom in