CHEBI:52326 - 3-hydroxytetracosanoyl-CoA

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ChEBI Name 3-hydroxytetracosanoyl-CoA
ChEBI ID CHEBI:52326
Definition A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxytetracosanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information ChemicalBook:CB0506254, eMolecules:1013946, ZINC000000967570
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Formula C45H82N7O18P3S
Net Charge 0
Average Mass 1134.15500
Monoisotopic Mass 1133.46499
InChI InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,38-,39-,40+,44-/m1/s1
InChIKey QIBKBVRVOFIKLN-SBPVGHMXSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(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-hydroxytetracosanoyl-CoA (CHEBI:52326) has functional parent 3-hydroxytetracosanoic acid (CHEBI:52349)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) has role human metabolite (CHEBI:77746)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) is a very long-chain fatty acyl-CoA (CHEBI:61910)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) is conjugate acid of 3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051)
Incoming 3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051) is conjugate base of 3-hydroxytetracosanoyl-CoA (CHEBI:52326)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-hydroxy-C24-CoA ChEBI
3-hydroxytetracosanoyl-coenzyme A ChEBI
Last Modified
21 January 2016