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CHEBI:76367 - (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−)

ChEBI IDCHEBI:76367
ChEBI Name(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−)
Stars
ASCII Name(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC45H66N7O18P3S
Net Charge-4
Average Mass1118.043
Monoisotopic Mass1117.34198
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)CC(=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/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1
InChIKeyUIAGUJIMVQPSDP-QOJZHLSOSA-J
ChEBI Ontology
Outgoing Relation(s)
(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−) (CHEBI:76367) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−) (CHEBI:76367) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−) (CHEBI:76367) is conjugate base of (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA (CHEBI:76449)
Incoming Relation(s)
(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA (CHEBI:76449) is conjugate acid of (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA(4−) (CHEBI:76367)
Synonyms  Source
3-keto-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4−)SUBMITTER
3-oxo-C24:5(ω-6)-CoA(4−)SUBMITTER
(6Z,9Z,12Z,15Z,18Z)-3-ketotetracosapentaenoyl-coenzyme A(4−)ChEBI
(6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-coenzyme A(4−)ChEBI
(6Z,9Z,12Z,15Z,18Z)-3-ketotetracosapentaenoyl-CoA(4−)ChEBI
UniProt Name  Source
3-oxo-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoAUniProt