CHEBI:50583 - 3-hydroxyoctadecanoyl-CoA

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ChEBI Name 3-hydroxyoctadecanoyl-CoA
ChEBI ID CHEBI:50583
Definition A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyoctadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H70N7O18P3S
Net Charge 0
Average Mass 1049.99676
Monoisotopic Mass 1049.371
InChI InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27?,28-,32-,33-,34+,38-/m1/s1
InChIKey WZMAIEGYXCOYSH-FWBOWLIOSA-N
SMILES CCCCCCCCCCCCCCCC(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 3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has functional parent 3-hydroxyoctadecanoic acid (CHEBI:50578)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has role Escherichia coli metabolite (CHEBI:76971)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has role human metabolite (CHEBI:77746)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) has role mouse metabolite (CHEBI:75771)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-hydroxyoctadecanoyl-CoA (CHEBI:50583) is conjugate acid of 3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:71408)
Incoming (S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577) is a 3-hydroxyoctadecanoyl-CoA (CHEBI:50583)
3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:71408) is conjugate base of 3-hydroxyoctadecanoyl-CoA (CHEBI:50583)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Hydroxyoctadecanoyl-coenzyme A ChemIDplus
3-Hydroxystearoyl-CoA KEGG COMPOUND
3-hydroxystearoyl-coenzyme A ChEBI
beta-Hydroxystearoyl-CoA KEGG COMPOUND
beta-Hydroxystearyl-coa ChemIDplus
Database Links Databases
C16217 KEGG COMPOUND
HMDB12715 HMDB
View more database links
Registry Number Type Source
42578-91-6 CAS Registry Number ChemIDplus
Last Modified
27 January 2016