input word = C00007270

Metabolite InformationStructural formula
Name 3-Hydroxy-3-methylglutaryl CoA
Formula C27H44N7O20P3S
Mw 911.1574671
CAS RN 1553-55-5
C_ID C00007270 ,
InChIKey CABVTRNMFUVUDM-DYQHIOKLNA-N
InChICode InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19+,20+,21+,25+,27-/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@](O)(C)CC(=O)O)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
ReferenceKasahara,J.Biol.Chem.,279,(2004),14049

Lange,Plant Mol.Biol.,51,(2003),925