CHEBI:27537 - trans-oct-2-enoyl-CoA

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ChEBI Name trans-oct-2-enoyl-CoA ChEBI ID CHEBI:27537 ChEBI ASCII Name trans-oct-2-enoyl-CoA Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:27078, CHEBI:10732 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H48N7O17P3S Net Charge 0 Average Mass 891.71568 Monoisotopic Mass 891.20403 InChI InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24+,28-/m1/s1 InChIKey CPSDNAXXKWVYIY-NTLMCJQISA-N SMILES CCCCC\C=C\C(=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 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. 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 trans-oct-2-enoyl-CoA (CHEBI:27537) has functional parent coenzyme A (CHEBI:15346) trans-oct-2-enoyl-CoA (CHEBI:27537) has role Escherichia coli metabolite (CHEBI:76971) trans-oct-2-enoyl-CoA (CHEBI:27537) has role human metabolite (CHEBI:77746) trans-oct-2-enoyl-CoA (CHEBI:27537) has role mouse metabolite (CHEBI:75771) trans-oct-2-enoyl-CoA (CHEBI:27537) is a trans-2-enoyl-CoA (CHEBI:50998) trans-oct-2-enoyl-CoA (CHEBI:27537) is a medium-chain fatty acyl-CoA (CHEBI:61907) trans-oct-2-enoyl-CoA (CHEBI:27537) is a monounsaturated fatty acyl-CoA (CHEBI:139575) trans-oct-2-enoyl-CoA (CHEBI:27537) is conjugate acid of trans-oct-2-enoyl-CoA(4−) (CHEBI:62242) Incoming trans-oct-2-enoyl-CoA(4−) (CHEBI:62242) is conjugate base of trans-oct-2-enoyl-CoA (CHEBI:27537) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-oct-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (2E)-Octenoyl-CoA KEGG COMPOUND (2E)-octenoyl-coenzyme A ChEBI 2,3-trans-octenoyl coenzyme A ChEBI 2E-octenoyl-CoA LIPID MAPS 2E-octenoyl-coenzyme A ChEBI oct-2-trans-enoyl-CoA ChEBI oct-trans-2-enoyl-CoA ChEBI trans-2-octenoyl-coenzyme A ChEBI trans-Oct-2-enoyl-CoA KEGG COMPOUND trans-oct-2-enoyl-coenzyme A ChEBI Manual Xrefs Databases C05276 KEGG COMPOUND CPD0-2108 MetaCyc HMDB0003949 HMDB LMFA07050024 LIPID MAPS View more database links Registry Number Type Source 11165742 Reaxys Registry Number Reaxys Citation Type Source 16046200 PubMed citation Europe PMC Last Modified 05 February 2018

General Comment 2011-05-03 The main metabolite produced in medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3, MCAD) deficiency. http://www.hmdb.ca/metabolites/HMDB03949.