CHEBI:27668 - (S)-3-hydroxylauroyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-3-hydroxylauroyl-CoA
ChEBI ID CHEBI:27668
ChEBI ASCII Name (S)-3-hydroxylauroyl-CoA
Definition A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxydodecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:396, CHEBI:18751
Supplier Information
Download Molfile XML SDF
Formula C33H58N7O18P3S
Net Charge 0
Average Mass 965.83728
Monoisotopic Mass 965.277
InChI InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28-,32+/m0/s1
InChIKey IJFLXRCJWPKGKJ-LXIXEQKWSA-N
SMILES CCCCCCCCC[C@H](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 (S)-3-hydroxylauroyl-CoA (CHEBI:27668) has functional parent (S)-3-hydroxylauric acid (CHEBI:36210)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has functional parent lauroyl-CoA (CHEBI:15521)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role Escherichia coli metabolite (CHEBI:76971)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role human metabolite (CHEBI:77746)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) has role mouse metabolite (CHEBI:75771)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(S)-3-hydroxylauroyl-CoA (CHEBI:27668) is conjugate acid of (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558)
Incoming (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is conjugate base of (S)-3-hydroxylauroyl-CoA (CHEBI:27668)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(S)-3-Hydroxydodecanoyl-CoA KEGG COMPOUND
(S)-3-hydroxydodecanoyl-coenzyme A ChEBI
(S)-3-hydroxylauroyl-coenzyme A ChEBI
Database Links Databases
C05262 KEGG COMPOUND
HMDB0003936 HMDB
LMFA07050012 LIPID MAPS
View more database links
Last Modified
27 January 2016
General Comment
2011-04-29 A human metabolite involved in fatty acid elongation in the mitochondrial pathway.