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CHEBI:76520 - (2E,13Z)-docosadienoyl-CoA

ChEBI IDCHEBI:76520
ChEBI Name(2E,13Z)-docosadienoyl-CoA
Stars
ASCII Name(2E,13Z)-docosadienoyl-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,13Z)-docosadienoic acid.
Last Modified6 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC43H74N7O17P3S
Net Charge0
Average Mass1086.086
Monoisotopic Mass1085.40747
SMILESCCCCCCCC/C=C\CCCCCCCCC/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/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,22-23,30-32,36-38,42,53-54H,4-10,13-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-,23-22+/t32-,36-,37-,38+,42-/m1/s1
InChIKeyUYOUIGJQABBRNN-IGGPOGQHSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E,13Z)-docosadienoyl-CoA (CHEBI:76520) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(2E,13Z)-docosadienoyl-CoA (CHEBI:76520) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2E,13Z)-docosadienoyl-CoA (CHEBI:76520) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(2E,13Z)-docosadienoyl-CoA (CHEBI:76520) is conjugate acid of (2E,13Z)-docosadienoyl-CoA(4−) (CHEBI:76391)
Incoming Relation(s)
(2E,13Z)-docosadienoyl-CoA(4−) (CHEBI:76391) is conjugate base of (2E,13Z)-docosadienoyl-CoA (CHEBI:76520)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,13Z)-docosa-2,13-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2E,13Z)-docosadienoyl-coenzyme AChEBI