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CHEBI:74087 - (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74087
ChEBI Name(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−)
Stars
ASCII Name(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA; major species at pH 7.3.
Last Modified27 July 2021
Submitterabridge
DownloadsMolfile
FormulaC45H70N7O17P3S
Net Charge-4
Average Mass1106.076
Monoisotopic Mass1105.37837
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
InChIKeyOKOXEYTYHDPTEW-GJYKHRJNSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087) is conjugate base of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548)
Incoming Relation(s)
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA (CHEBI:63548) is conjugate acid of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA(4−) (CHEBI:74087)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
Synonym  Source
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoAUniProt