input word = C00007536

Metabolite InformationStructural formula
Name Phenylacetyl coenzyme A
Phenylacetyl-CoA
Formula C29H42N7O17P3S
Mw 885.15707317
CAS RN 7532-39-0
C_ID C00007536 ,
InChIKey ZIGIFDRJFZYEEQ-UHFFFAOYNA-N
InChICode InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22+,23+,24+,28-/m1/s1
SMILES O1[C@@H]([C@@H]([C@@H]([C@@H]1n1c2c(nc1)c(ncn2)N)O)OP(=O)(O)O)CO[P@@](=O)(O[P@@](=O)(OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Asp IPP
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas pseudoalcaligenes Ref.
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