input word = C00007281

Metabolite InformationStructural formula
Name Caffeoyl-CoA
Formula C30H42N7O19P3S
Mw 929.14690242
CAS RN 53034-79-0
C_ID C00007281 ,
InChIKey QHRGJMIMHCLHRG-GQCTYLIANA-N
InChICode InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23+,24+,25-,29-/m0/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)O)O)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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