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CHEBI:74587 - (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA

ChEBI IDCHEBI:74587
ChEBI Name(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA
Stars
ASCII Name(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-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,20Z,23Z)-hexacosahexaenoic acid.
Last Modified18 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC47H74N7O17P3S
Net Charge0
Average Mass1134.130
Monoisotopic Mass1133.40747
SMILESCC/C=C\C/C=C\C/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/C47H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,34-36,40-42,46,57-58H,4,7,10,13,16,19,22-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyGDFIQBSSDWNLSB-YIHFRTTKSA-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,20Z,23Z)-hexacosahexaenoyl-CoA (CHEBI:74587) has functional parent (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoic acid (CHEBI:77371)
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA (CHEBI:74587) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA (CHEBI:74587) is a very long-chain fatty acyl-CoA (CHEBI:61910)
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA (CHEBI:74587) is conjugate acid of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4−) (CHEBI:74306)
Incoming Relation(s)
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4−) (CHEBI:74306) is conjugate base of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA (CHEBI:74587)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-coenzyme AChEBI
C26:6(ω-3)-CoAChEBI