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CHEBI:74282 - (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74282
ChEBI Name(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−)
Stars
ASCII Name(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA.
Last Modified13 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC47H74N7O17P3S
Net Charge-4
Average Mass1134.130
Monoisotopic Mass1133.40967
SMILESCCCCC/C=C\C/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/C47H78N7O17P3S/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/h8-9,11-12,14-15,17-18,34-36,40-42,46,57-58H,4-7,10,13,16,19-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b9-8-,12-11-,15-14-,18-17-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyCXUKHIHKLFZEFF-UGUUHRENSA-J
ChEBI Ontology
Outgoing Relation(s)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282) is conjugate base of (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA (CHEBI:74476)
Incoming Relation(s)
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA (CHEBI:74476) is conjugate acid of (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4−) (CHEBI:74282)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
C26:4(ω-6)-CoA(4−)SUBMITTER
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
(11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoAUniProt