CHEBI:28002 - (3Z,6Z)-dodecadienoyl-CoA

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ChEBI Name (3Z,6Z)-dodecadienoyl-CoA ChEBI ID CHEBI:28002 ChEBI ASCII Name (3Z,6Z)-dodecadienoyl-CoA Definition A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis,cis-dodeca-3,6-dienoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:23257, CHEBI:10450 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 C33H54N7O17P3S Net Charge 0 Average Mass 945.80612 Monoisotopic Mass 945.25098 InChI InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1 InChIKey KEPSPLQXVPROMK-ASJCJLDXSA-N SMILES CCCCC\C=C/C\C=C/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 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): 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 (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) has functional parent cis,cis-dodeca-3,6-dienoic acid (CHEBI:37210) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) has functional parent coenzyme A (CHEBI:15346) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) has role human metabolite (CHEBI:77746) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) has role mouse metabolite (CHEBI:75771) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) is a medium-chain fatty acyl-CoA (CHEBI:61907) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) is a unsaturated fatty acyl-CoA (CHEBI:51006) (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) is conjugate acid of (3Z,6Z)-dodecadienoyl-CoA(4−) (CHEBI:78550) Incoming (3Z,6Z)-dodecadienoyl-CoA(4−) (CHEBI:78550) is conjugate base of (3Z,6Z)-dodecadienoyl-CoA (CHEBI:28002) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z,6Z)-dodeca-3,6-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (3Z,6Z)-dodecadienoyl-CoA(4−)cis,cis-dodeca-3,6-dienoyl-coenzyme A ChEBI cis,cis-3,6-Dodecadienoyl-CoA KEGG COMPOUND cis,cis-3,6-dodecadienoyl-coenzyme A ChEBI cis,cis-dodeca-3,6-dienoyl-CoA ChEBI cis,cis-dodeca-3,6-dienoyl-coenzyme A ChEBI Manual Xrefs Databases C05280 KEGG COMPOUND HMDB0003952 HMDB View more database links Last Modified 27 January 2016

General Comment 2011-05-03 An intermediate in fatty acid metabolism, it is produced from trans,cis-lauro-2,6-dienoyl-CoA via the enzyme dodecenoyl-CoA delta-isomerase (EC 5.3.3.8).