EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52326 - 3-hydroxytetracosanoyl-CoA

ChEBI IDCHEBI:52326
ChEBI Name3-hydroxytetracosanoyl-CoA
Stars
DefinitionA 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.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC45H82N7O18P3S
Net Charge0
Average Mass1134.171
Monoisotopic Mass1133.46499
SMILESCCCCCCCCCCCCCCCCCCCCCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyQIBKBVRVOFIKLN-SBPVGHMXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3-hydroxy-C24-CoAChEBI
3-hydroxytetracosanoyl-coenzyme AChEBI