EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63542 - (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA

ChEBI IDCHEBI:63542
ChEBI Name(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
Stars
ASCII Name(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (8Z,11Z,14Z,17Z)-icosatetraenoic acid. It is a member of the n-3 PUFA and is the product of α-linolenic acid metabolism.
Last Modified27 November 2013
SubmitterPhani
DownloadsMolfile
FormulaC41H66N7O17P3S
Net Charge0
Average Mass1054.000
Monoisotopic Mass1053.34487
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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/C41H66N7O17P3S/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/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(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-,15-14-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyPLHICYKOPITJJT-QWOXCLFSSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA (CHEBI:63542) is a long-chain fatty acyl-CoA (CHEBI:33184)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA (CHEBI:63542) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA (CHEBI:63542) is conjugate acid of (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4−) (CHEBI:74265)
Incoming Relation(s)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4−) (CHEBI:74265) is conjugate base of (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA (CHEBI:63542)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
Synonyms  Source
8Z,11Z,14Z,17Z-eicosatetraenoyl-CoALIPID MAPS
20:4(n-3)SUBMITTER
all-cis-8,11,14,17-icosatetraenoyl-CoAChEBI
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoAChEBI
all-cis-8,11,14,17-eicosatetraenoyl-CoAChEBI
CoA(20:4(8Z,11Z,14Z,17Z))LIPID MAPS
Manual XrefsDatabases
LMFA07050047LIPID MAPS