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CHEBI:78178 - (2E,9Z)-hexadecadienoyl-CoA

Default Structure
ChEBI IDCHEBI:78178
ChEBI Name(2E,9Z)-hexadecadienoyl-CoA
Stars
ASCII Name(2E,9Z)-hexadecadienoyl-CoA
DefinitionA polyunsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z)-hexadecadienoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H62N7O17P3S
Net Charge0
Average Mass1001.924
Monoisotopic Mass1001.31357
SMILESCCCCCC/C=C\CCCCC/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/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,16-17,24-26,30-32,36,47-48H,4-8,11-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-,17-16+/t26-,30-,31-,32+,36-/m1/s1
InChIKeyBEQWCBBSKHMRCA-HENMZMGOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E,9Z)-hexadecadienoyl-CoA (CHEBI:78178) is a trans-2-enoyl-CoA (CHEBI:50998)
(2E,9Z)-hexadecadienoyl-CoA (CHEBI:78178) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(2E,9Z)-hexadecadienoyl-CoA (CHEBI:78178) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2E,9Z)-hexadecadienoyl-CoA (CHEBI:78178) is conjugate acid of (2E,9Z)-hexadecadienoyl-CoA(4−) (CHEBI:77549)
Incoming Relation(s)
(2E,9Z)-hexadecadienoyl-CoA(4−) (CHEBI:77549) is conjugate base of (2E,9Z)-hexadecadienoyl-CoA (CHEBI:78178)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,9Z)-hexadeca-2,9-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2E,9Z)-hexadecadienoyl-coenzyme AChEBI