input word = C00007260

Metabolite InformationStructural formula
Name Malonyl-CoA
Malonyl CoA
Formula C24H38N7O19P3S
Mw 853.11560229
CAS RN 524-14-1
C_ID C00007260 ,
InChIKey LTYOQGRJFJAKNA-UHFFFAOYNA-N
InChICode InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17+,18+,19+,23-/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)CC(=O)O)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeGentianaceaeGentiana lutea L. var. aurantiaca Ref.
PlantaePoaceaeSorghum bicolor Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeVitaceaeVitis rupestris Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Nympaea spp. Ref.
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OrganismDaucus carota
ReferenceXu, Z-S. et al., BMC Plant Biol., 14, (2014), 262.