input word = C00007283

Metabolite InformationStructural formula
Name Sinapoyl-CoA
Formula C32H46N7O20P3S
Mw 973.17311717
CAS RN 54429-80-0
C_ID C00007283 ,
InChIKey RBFUWESMWRUGFY-AATRIKPKNA-N
InChICode InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27-,31+/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/c1cc(c(c(c1)OC)O)OC)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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