CHEBI:74665 - (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA

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ChEBI Name (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA
ChEBI ID CHEBI:74665
ChEBI ASCII Name (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (10Z,13Z,16Z)-3-oxodocosatrienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H70N7O18P3S
Net Charge 0
Average Mass 1098.03800
Monoisotopic Mass 1097.37109
InChI InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-/t32-,36-,37-,38+,42-/m1/s1
InChIKey GPKHWNMCLWDFOL-VCMLSESPSA-N
SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=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 (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665) is conjugate acid of (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74426)
Incoming (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4−) (CHEBI:74426) is conjugate base of (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA (CHEBI:74665)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(10Z,13Z,16Z)-tetracosa-10,13,16-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms Sources
(10Z,13Z,16Z)-3-ketodocosatrienoyl-CoA ChEBI
(10Z,13Z,16Z)-3-ketodocosatrienoyl-coenzyme A ChEBI
(10Z,13Z,16Z)-3-oxodocosatrienoyl-coenzyme A ChEBI
3-oxo-C22:3(ω-6)-CoA ChEBI
Last Modified
11 July 2013