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CHEBI:74606 - (11Z,14Z,17Z)-icosatrienoyl-CoA

ChEBI IDCHEBI:74606
ChEBI Name(11Z,14Z,17Z)-icosatrienoyl-CoA
Stars
ASCII Name(11Z,14Z,17Z)-icosatrienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z,14Z,17Z)-icosatrienoic acid.
Last Modified8 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC41H68N7O17P3S
Net Charge0
Average Mass1056.016
Monoisotopic Mass1055.36052
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/C41H68N7O17P3S/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/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyBVBYYRVLCDMZNJ-UBQHHBPXSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) has functional parent all-cis-icosa-11,14,17-trienoic acid (CHEBI:53460)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) is a long-chain fatty acyl-CoA (CHEBI:33184)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) is conjugate acid of (11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328)
Incoming Relation(s)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is conjugate base of (11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(11Z,14Z,17Z)-eicosatrienoyl-CoAChEBI
(11Z,14Z,17Z)-eicosatrienoyl-coenzyne AChEBI
(11Z,14Z,17Z)-icosatrienoyl-coenzyne AChEBI
11Z,14Z,17Z-eicosatrienoyl-CoALIPID MAPS
CoA(20:3(11Z,14Z,17Z))LIPID MAPS
C20:3(ω-3)-CoAChEBI
Manual XrefsDatabases
C16179KEGG COMPOUND
LMFA07050044LIPID MAPS