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CHEBI:77242 - (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−)

ChEBI IDCHEBI:77242
ChEBI Name(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−)
Stars
ASCII Name(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC47H72N7O17P3S
Net Charge-4
Average Mass1132.114
Monoisotopic Mass1131.39402
SMILESCCCCC/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/C47H76N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,34-36,40-42,46,57-58H,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)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t36-,40-,41-,42+,46-/m1/s1
InChIKeyTYFVXOCUXRMKNU-UJPMCPLMSA-J
ChEBI Ontology
Outgoing Relation(s)
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−) (CHEBI:77242) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−) (CHEBI:77242) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−) (CHEBI:77242) is conjugate base of (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA (CHEBI:77540)
Incoming Relation(s)
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA (CHEBI:77540) is conjugate acid of (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA(4−) (CHEBI:77242)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-coenzyme A(4−)SUBMITTER
C26:5(-6)-CoA(4−)SUBMITTER
UniProt Name  Source
(8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoAUniProt