CHEBI:57349 - 3-oxopalmitoyl-CoA(4−)

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ChEBI Name 3-oxopalmitoyl-CoA(4−)
ChEBI ID CHEBI:57349
ChEBI ASCII Name 3-oxopalmitoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopalmitoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H60N7O18P3S
Net Charge -4
Average Mass 1015.89500
Monoisotopic Mass 1015.293
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)/p-4/t26-,30-,31-,32+,36-/m1/s1
InChIKey NQMPLXPCRJOSHL-BBECNAHFSA-J
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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxopalmitoyl-CoA(4−) (CHEBI:57349) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxopalmitoyl-CoA(4−) (CHEBI:57349) has role human metabolite (CHEBI:77746)
3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is conjugate base of 3-oxopalmitoyl-CoA (CHEBI:15491)
Incoming 3-oxopalmitoyl-CoA (CHEBI:15491) is conjugate acid of 3-oxopalmitoyl-CoA(4−) (CHEBI:57349)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonym Source
3-oxohexadecanoyl-CoA UniProt
Last Modified
21 January 2016