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 |
Plantae | Aquifoliaceae | Ilex paraguariensis | Ref. |
Plantae | Caricaceae | Carica papaya | Ref. |
Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
Plantae | Salicaceae | Populus trichocarpa | Ref. |
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zoom in
Organism | Populus trichocarpa | Reference | Wang, J. P. et al., Frontiers Plant Sci., 9, (2019), 1942. |
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