input word = C00019641

Metabolite InformationStructural formula
Name 2-Succinylbenzoyl-CoA
S-[2-(3-Carboxy-1-oxopropyl)benzoate] coenzyme A
Formula C32H44N7O20P3S
Mw 971.1574671
CAS RN 72471-59-1
C_ID C00019641 ,
InChIKey AVOVYFCDODUXLY-XRYSZIIONA-N
InChICode InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-10-9-21(41)34-11-12-63-31(47)18-6-4-3-5-17(18)19(40)7-8-22(42)43)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(44)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,44-45H,7-14H2,1-2H3,(H,34,41)(H,35,46)(H,42,43)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t20-,24+,25+,26-,30-/m0/s1
SMILES [C@@H]1([C@H]([C@H]([C@H](O1)n1c2c(nc1)c(ncn2)N)O)OP(=O)(O)O)CO[P@@](=O)(O[P@@](=O)(O)OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1C(=O)CCC(=O)O)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
zoom in