CHEBI:74304 - (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−)

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ChEBI Name (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−)
ChEBI ID CHEBI:74304
ChEBI ASCII Name (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C45H64N7O18P3S
Net Charge -4
Average Mass 1116.01200
Monoisotopic Mass 1115.32633
InChI InChI=1S/C45H68N7O18P3S/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/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,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/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1
InChIKey DNHDPAXPQGYGIJ-KWFBMMABSA-J
SMILES CC\C=C/C\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−) (CHEBI:74304) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−) (CHEBI:74304) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−) (CHEBI:74304) is a very long-chain 3-oxoacyl-CoA(4−) (CHEBI:90725)
(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−) (CHEBI:74304) is conjugate base of (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA (CHEBI:65131)
Incoming (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA (CHEBI:65131) is conjugate acid of (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4−) (CHEBI:74304)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosacosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(6Z,9Z,12Z,15Z,18Z,21Z)-3-ketotetracosahexaenoyl-CoA(4−) ChEBI
(6Z,9Z,12Z,15Z,18Z,21Z)-3-ketotetracosahexaenoyl-coenzyme A(4−) ChEBI
(6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-coenzyme A(4−) ChEBI
3-keto-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexanoyl-CoA(4−) SUBMITTER
3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA UniProt
3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexanoyl-CoA(4−) SUBMITTER
3-oxo-all-cis-(ω-3)-tetracosahexanoyl-CoA(4−) SUBMITTER
3-oxo-C24:6(ω-3)-CoA(4−) ChEBI
Last Modified
05 December 2016