input word = C00007281

Metabolite InformationStructural formula
Name caffeoyl-CoA
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
Plantae--Lonicera japonica Ref.
PlantaeAquifoliaceaeIlex paraguariensis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeSophora japonica Ref.
PlantaeLabiataeOcimum sanctum Ref.
PlantaeMagnoliaceaeMagnolia denudata Ref.
PlantaeMagnoliaceaeMagnolia liliiflora Ref.
PlantaePinaceaePicea jezoensis Ref.
PlantaePoaceaePanicum virgatum Ref.
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus trichocarpa Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeStaphyleaceaeEuscaphis konishii Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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