input word = C00007259

Metabolite InformationStructural formula
Name Acetyl-CoA
Formula C23H38N7O17P3S
Mw 809.12577304
CAS RN 72-89-9
C_ID C00007259 ,
InChIKey ZSLZBFCDCINBPY-UHFFFAOYNA-N
InChICode InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16+,17-,18+,22+/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)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
BacteriaPseudomonadaceaePseudomonas putida Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsteraceaeChamaemelum nobile Ref.
PlantaeAsteraceaeMatricaria recutita Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia splendens Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeRutaceaeClausena lansium Ref.
PlantaeSantalaceaeSantalum album Ref.
--Sertia mussotii Ref.
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OrganismPanax ginseng
Referencehttps://doi.org/10.1093/pcp/pcu147