CHEBI:52324 - 3-hydroxyicosanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxyicosanoyl-CoA
ChEBI ID CHEBI:52324
Definition A 3-hydroxy fatty acyl-CoA in which the 3-hydroxy fatty acyl group is specified as 3-hydroxyicosanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kieran
Supplier Information ZINC000003953999
Download Molfile XML SDF
more structures >>
Formula C41H74N7O18P3S
Net Charge 0
Average Mass 1078.04900
Monoisotopic Mass 1077.40239
InChI InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29?,30-,34-,35-,36+,40-/m1/s1
InChIKey KNSVYMFEJLUJST-MJMSVFGZSA-N
SMILES CCCCCCCCCCCCCCCCCC(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-hydroxyicosanoyl-CoA (CHEBI:52324) has functional parent 3-hydroxyicosanoic acid (CHEBI:52347)
3-hydroxyicosanoyl-CoA (CHEBI:52324) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-hydroxyicosanoyl-CoA (CHEBI:52324) has role human metabolite (CHEBI:77746)
3-hydroxyicosanoyl-CoA (CHEBI:52324) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyicosanoyl-CoA (CHEBI:52324) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-hydroxyicosanoyl-CoA (CHEBI:52324) is conjugate acid of 3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455)
Incoming (3S)-3-hydroxyicosanoyl-CoA (CHEBI:87775) is a 3-hydroxyicosanoyl-CoA (CHEBI:52324)
3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455) is conjugate base of 3-hydroxyicosanoyl-CoA (CHEBI:52324)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-hydroxy-C20-CoA ChEBI
3-hydroxyeicosanoyl-CoA ChEBI
3-hydroxyeicosanoyl-coenzyme A ChEBI
3-hydroxyicosanoyl-coenzyme A ChEBI
Last Modified
21 January 2016