CHEBI:28726 - 3-oxotetradecanoyl-CoA

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ChEBI Name 3-oxotetradecanoyl-CoA
ChEBI ID CHEBI:28726
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20183, CHEBI:1654
Supplier Information
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Formula C35H60N7O18P3S
Net Charge 0
Average Mass 991.87456
Monoisotopic Mass 991.293
InChI InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30+,34-/m1/s1
InChIKey IQNFBGHLIVBNOU-QSGBVPJFSA-N
SMILES CCCCCCCCCCCC(=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
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxotetradecanoyl-CoA (CHEBI:28726) has functional parent 3-oxotetradecanoic acid (CHEBI:37270)
3-oxotetradecanoyl-CoA (CHEBI:28726) has functional parent myristoyl-CoA (CHEBI:15532)
3-oxotetradecanoyl-CoA (CHEBI:28726) has role Escherichia coli metabolite (CHEBI:76971)
3-oxotetradecanoyl-CoA (CHEBI:28726) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxotetradecanoyl-CoA (CHEBI:28726) has role human metabolite (CHEBI:77746)
3-oxotetradecanoyl-CoA (CHEBI:28726) has role mouse metabolite (CHEBI:75771)
3-oxotetradecanoyl-CoA (CHEBI:28726) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxotetradecanoyl-CoA (CHEBI:28726) is conjugate acid of 3-oxotetradecanoyl-CoA(4−) (CHEBI:62543)
Incoming 3-oxotetradecanoyl-CoA(4−) (CHEBI:62543) is conjugate base of 3-oxotetradecanoyl-CoA (CHEBI:28726)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-oxomyristoyl-CoA ChEBI
3-Oxotetradecanoyl-CoA KEGG COMPOUND
Database Link Database
C05261 KEGG COMPOUND
View more database links
Last Modified
27 January 2016