CHEBI:76909 - (2E,13Z)-icosadienoyl-CoA

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ChEBI Name (2E,13Z)-icosadienoyl-CoA
ChEBI ID CHEBI:76909
ChEBI ASCII Name (2E,13Z)-icosadienoyl-CoA
Definition A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,13Z)-icosadienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H70N7O17P3S
Net Charge 0
Average Mass 1058.01700
Monoisotopic Mass 1057.37618
InChI InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h9-10,20-21,28-30,34-36,40,51-52H,4-8,11-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b10-9-,21-20+/t30-,34-,35-,36+,40-/m1/s1
InChIKey UODBMTONMVKPGP-XGJFVXMKSA-N
SMILES CCCCCC\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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2E,13Z)-icosadienoyl-CoA (CHEBI:76909) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(2E,13Z)-icosadienoyl-CoA (CHEBI:76909) is a trans-2-enoyl-CoA (CHEBI:50998)
(2E,13Z)-icosadienoyl-CoA (CHEBI:76909) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2E,13Z)-icosadienoyl-CoA (CHEBI:76909) is conjugate acid of (2E,13Z)-icosadienoyl-CoA(4−) (CHEBI:76562)
Incoming (2E,13Z)-icosadienoyl-CoA(4−) (CHEBI:76562) is conjugate base of (2E,13Z)-icosadienoyl-CoA (CHEBI:76909)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,13Z)-icosa-2,13-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(2E,13Z)-eicosadienoyl-CoA ChEBI
(2E,13Z)-eicosadienoyl-coenzyme A ChEBI
(2E,13Z)-icosadienoyl-coenzyme A ChEBI
2trans,13cis-eicosadienoyl-CoA ChEBI
2trans,13cis-eicosadienoyl-coenzyme A ChEBI
2trans,13cis-icosadienoyl-CoA ChEBI
2trans,13cis-icosadienoyl-coenzyme A ChEBI
Last Modified
31 March 2015