CHEBI:52977 - 3-oxohexacosanoyl-CoA

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ChEBI Name 3-oxohexacosanoyl-CoA
ChEBI ID CHEBI:52977
Definition A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxohexacosanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
kieran
Secondary ChEBI IDs CHEBI:52370, CHEBI:52959
Supplier Information
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Formulae C47H84N7O18P3S
C47H84N7O18P3S
Net Charge 0
Average Mass 1160.19200
Monoisotopic Mass 1159.48064
InChI InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t36-,40-,41-,42+,46-/m1/s1
InChIKey VOMUIFOBQMYJPJ-CPIGOPAHSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=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:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) 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): 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-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent 3-oxohexacosanoic acid (CHEBI:52421)
3-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent hexacosanoyl-CoA (CHEBI:52966)
3-oxohexacosanoyl-CoA (CHEBI:52977) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxohexacosanoyl-CoA (CHEBI:52977) has role human metabolite (CHEBI:77746)
3-oxohexacosanoyl-CoA (CHEBI:52977) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxohexacosanoyl-CoA (CHEBI:52977) is a very long-chain fatty acyl-CoA (CHEBI:61910)
3-oxohexacosanoyl-CoA (CHEBI:52977) is conjugate acid of 3-oxohexacosanoyl-CoA(4−) (CHEBI:73980)
Incoming 3-oxohexacosanoyl-CoA(4−) (CHEBI:73980) is conjugate base of 3-oxohexacosanoyl-CoA (CHEBI:52977)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-ketocerotoyl-CoA ChEBI
3-ketohexacosanoyl-CoA ChEBI
3-ketohexacosanoyl-coenzyme A ChEBI
3-oxocerotoyl-CoA ChEBI
3-oxohexacosanoyl-coenzyme A ChEBI
Last Modified
21 January 2016