EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76523 - (2E,15Z)-tetracosadienoyl-CoA

ChEBI IDCHEBI:76523
ChEBI Name(2E,15Z)-tetracosadienoyl-CoA
Stars
ASCII Name(2E,15Z)-tetracosadienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,15Z)-tetracosadienoic acid.
Last Modified29 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC45H78N7O17P3S
Net Charge0
Average Mass1114.140
Monoisotopic Mass1113.43877
SMILESCCCCCCCC/C=C\CCCCCCCCCCC/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/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKeyVXYLAQGCUVCPNJ-KXWYWQGCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523) is conjugate acid of (2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393)
Incoming Relation(s)
(2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393) is conjugate base of (2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,15Z)-tetracosa-2,15-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2E,15Z)-tetracosadienoyl-coenzyme AChEBI