CHEBI:15491 - 3-oxopalmitoyl-CoA

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 3-oxopalmitoyl-CoA
ChEBI ID CHEBI:15491
Definition The S-(3-oxopalmitoyl) derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1647, CHEBI:11875, CHEBI:20176
Supplier Information
Save molfile Download Molfile
Formula C37H64N7O18P3S
Net Charge 0
Average Mass 1019.92772
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
InChIKey NQMPLXPCRJOSHL-BBECNAHFSA-N
SMILES CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxopalmitoyl-CoA (CHEBI:15491) has functional parent 3-oxopalmitic acid (CHEBI:37251)
3-oxopalmitoyl-CoA (CHEBI:15491) has functional parent palmitoyl-CoA (CHEBI:15525)
3-oxopalmitoyl-CoA (CHEBI:15491) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxopalmitoyl-CoA (CHEBI:15491) is conjugate acid of 3-oxopalmitoyl-CoA(4−) (CHEBI:57349)
Incoming 3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is conjugate base of 3-oxopalmitoyl-CoA (CHEBI:15491)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-Ketopalmitoyl-CoA KEGG COMPOUND
3-Oxohexadecanoyl-CoA KEGG COMPOUND
3-Oxopalmitoyl-CoA KEGG COMPOUND
Database Link Database
C05259 KEGG COMPOUND
View more database links
Last Modified
04 August 2014