input word = C00055782

Metabolite InformationStructural formula
Name Coumaroyl-CoA
Formula C30H42N7O18P3S
Mw 913.15198779
CAS RN 119785-99-8
C_ID C00055782
InChIKey DMZOKBALNZWDKI-UXZGQIJRSA-N
InChICode InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25-,29-/m1/s1
SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaePinaceaePinus spp. Ref.
PlantaePoaceaeZea mays Ref.
PlantaeSalicaceaePopulus spp. Ref.
PlantaeStaphyleaceaeEuscaphis konishii Ref.
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