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

ChEBI IDCHEBI:28387
ChEBI Name(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
Stars
ASCII Name(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
DefinitionAn 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.
Secondary ChEBI IDsCHEBI:10697, CHEBI:27030
Last Modified27 January 2016
DownloadsMolfile
FormulaC33H54N7O17P3S
Net Charge0
Average Mass945.816
Monoisotopic Mass945.25097
SMILESCCCCC/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyBNPQDIKRZDRREL-GQUYLXGASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(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  Source
trans,cis-Lauro-2,6-dienoyl-CoAKEGG COMPOUND
trans,cis-2,6-laurodienoyl-coenzyme AChEBI
(2t,6c)-lauro-2,6-dienoyl-coenzyme AChEBI
trans,cis-lauro-2,6-dienoyl-coenzyme AChEBI
(2t,6c)-dodecadienoyl-coenzyme AChEBI
(2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme AChEBI
Manual XrefsDatabases
C05279KEGG COMPOUND