input word = C00007361

Metabolite InformationStructural formula
Name 5-Hydroxyferuloyl-CoA
Formula C31H44N7O20P3S
Mw 959.1574671
CAS RN 59862-14-5
C_ID C00007361 ,
InChIKey ILSPFIPSQSFPCN-SNAWJCMRNA-N
InChICode InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,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/c1cc(c(c(c1)OC)O)O)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex paraguariensis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeSalicaceaePopulus trichocarpa Ref.
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OrganismCarica papaya
ReferenceJamaluddin N. D. et al., Physiol. Mol. Biol. Plants, 23, (2017), 357-368.