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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C39H70N7O18P3S Net Charge 0 Average Mass 1049.99676 Monoisotopic Mass 1049.37109 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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Escherichia coli (NCBI:txid562) 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): 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 Manual Xrefs Databases C16217 KEGG COMPOUND HMDB0012715 HMDB View more database links Registry Number Type Source 42578-91-6 CAS Registry Number ChemIDplus Last Modified 27 January 2016