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CHEBI:74427 - (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74427
ChEBI Name(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−)
Stars
ASCII Name(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA.
Last Modified4 April 2019
Submitterlaimo
DownloadsMolfile
FormulaC45H68N7O18P3S
Net Charge-4
Average Mass1120.059
Monoisotopic Mass1119.35763
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/C45H72N7O18P3S/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/h5-6,8-9,11-12,14-15,31-32,34,38-40,44,56-57H,4,7,10,13,16-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-/t34-,38-,39-,40+,44-/m1/s1
InChIKeyHPMVBGKWFWCZAY-LEAJHPDKSA-J
ChEBI Ontology
Outgoing Relation(s)
(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:74427) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:74427) is a very long-chain 3-oxoacyl-CoA(4−) (CHEBI:90725)
(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:74427) is conjugate base of (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA (CHEBI:74666)
Incoming Relation(s)
(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA (CHEBI:74666) is conjugate acid of (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4−) (CHEBI:74427)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(12Z,15Z,18Z,21Z)-3-oxotetracosa-12,15,18,21-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
Synonyms  Source
3-oxo-(12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA(4−)SUBMITTER
3-keto-(12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA(4−)SUBMITTER
3-oxo-all-cis-(ω-3)-tetracosatetraenoyl-CoA(4−)SUBMITTER
(12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-coenzyme A(4−)ChEBI
3-oxo-C24:4(ω-3)-CoA(4−)ChEBI
(12Z,15Z,18Z,21Z)-3-ketotetracosatetraenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-(12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoAUniProt