PCIDB

KNApSAcK Metabolite C00007269

Metabolite

KNApSAcK Entry

id C00007269
Name Acetoacetyl-CoA
CAS RN 1420-36-6
Standard InChI InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)
Standard InChI (Main Layer) InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 461

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C00332

CTD

By CAS RN C010667

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Brassicaceae 1
Enterobacteriaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Escherichia coli 562 Enterobacteriaceae Bacteria