CHEBI:74311 - (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−)

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ChEBI Name (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−)
ChEBI ID CHEBI:74311
ChEBI ASCII Name (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C49H72N7O18P3S
Net Charge -4
Average Mass 1172.11800
Monoisotopic Mass 1171.38893
InChI InChI=1S/C49H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h5-6,8-9,11-12,14-15,17-18,20-21,35-36,38,42-44,48,60-61H,4,7,10,13,16,19,22-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t38-,42-,43-,44+,48-/m1/s1
InChIKey ZGSDUFJFPPNTJJ-WWHNOTAJSA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=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 (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−) (CHEBI:74311) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−) (CHEBI:74311) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
(10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−) (CHEBI:74311) is conjugate base of (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA (CHEBI:74588)
Incoming (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA (CHEBI:74588) is conjugate acid of (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4−) (CHEBI:74311)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosa-10,13,16,19,22,25-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(10Z,13Z,16Z,19Z,22Z,25Z)-3-ketooctacosahexaenoyl-CoA(4−) ChEBI
(10Z,13Z,16Z,19Z,22Z,25Z)-3-ketooctacosahexaenoyl-coenzyme A(4−) ChEBI
(10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-coenzyme A(4−) ChEBI
3-keto-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4−) SUBMITTER
3-oxo-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA UniProt
3-oxo-(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4−) SUBMITTER
3-oxo-all-cis-(ω-3)-octacosahexaenoyl-CoA(4−) SUBMITTER
3-oxo-C28:6(ω-3)-CoA(4−) ChEBI
Last Modified
06 February 2019