Compound Details

 Compound-ID 2736
 Common Name 3-Oxopalmitoyl-CoA
 Synonyms 3-Oxohexadecanoyl-CoA
3-Ketopalmitoyl-CoA
3-Ketohexadecanoyl-CoA
 InChI InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1
 SMILES CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23
 External Links
 KEGG-COMPOUND-ID C05259
 PUBCHEM-ID 7646
 ChEBI-ID 15491
57349
20176
1647
11875
 REACTOME-ID 77302
 METACYC-ID 3-OXOPALMITOYL-COA
 METANETX-ID MNXM739927
 BioModels 15491


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