CHEBI:28387 - (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA ChEBI ID CHEBI:28387 ChEBI ASCII Name (2-trans,6-cis)-dodeca-2,6-dienoyl-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 (2-trans,6-cis)-dodeca-2,6-dienoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10697, CHEBI:27030 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/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1 InChIKey BNPQDIKRZDRREL-GQUYLXGASA-N SMILES CCCCC\C=C/CC\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 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 (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) has functional parent (2-trans,6-cis)-dodeca-2,6-dienoic acid (CHEBI:37212) (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) has functional parent coenzyme A (CHEBI:15346) (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) has role human metabolite (CHEBI:77746) (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) has role mouse metabolite (CHEBI:75771) (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) is a medium-chain fatty acyl-CoA (CHEBI:61907) (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA (CHEBI:28387) is a unsaturated fatty acyl-CoA (CHEBI:51006) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme A ChEBI (2t,6c)-dodecadienoyl-coenzyme A ChEBI (2t,6c)-lauro-2,6-dienoyl-coenzyme A ChEBI trans,cis-2,6-laurodienoyl-coenzyme A ChEBI trans,cis-Lauro-2,6-dienoyl-CoA KEGG COMPOUND trans,cis-lauro-2,6-dienoyl-coenzyme A ChEBI Manual Xref Database C05279 KEGG COMPOUND View more database links Last Modified 27 January 2016