input word = C00007264

Metabolite InformationStructural formula
Name Feruloyl-CoA
Formula C31H44N7O19P3S
Mw 943.16255248
CAS RN
C_ID C00007264 ,
InChIKey GBXZVJQQDAJGSO-FNORWQNLNA-N
InChICode InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+/t20-,24+,25+,26+,30+/m1/s1
SMILES n1cnc2c(c1N)ncn2[C@H]1O[C@@H]([C@@H]([C@@H]1O)OP(=O)(O)O)CO[P@@](=O)(O[P@](=O)(OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(c(c1)OC)O)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas putida Ref.
PlantaeAquifoliaceaeIlex paraguariensis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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