CHEBI:73980 - 3-oxohexacosanoyl-CoA(4−)

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ChEBI Name 3-oxohexacosanoyl-CoA(4−)
ChEBI ID CHEBI:73980
ChEBI ASCII Name 3-oxohexacosanoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-oxohexacosanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C47H80N7O18P3S
Net Charge -4
Average Mass 1156.16000
Monoisotopic Mass 1155.45154
InChI InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t36-,40-,41-,42+,46-/m1/s1
InChIKey VOMUIFOBQMYJPJ-CPIGOPAHSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=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 3-oxohexacosanoyl-CoA(4−) (CHEBI:73980) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxohexacosanoyl-CoA(4−) (CHEBI:73980) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxohexacosanoyl-CoA(4−) (CHEBI:73980) is a very long-chain 3-oxoacyl-CoA(4−) (CHEBI:90725)
3-oxohexacosanoyl-CoA(4−) (CHEBI:73980) is conjugate base of 3-oxohexacosanoyl-CoA (CHEBI:52977)
Incoming 3-oxohexacosanoyl-CoA (CHEBI:52977) is conjugate acid of 3-oxohexacosanoyl-CoA(4−) (CHEBI:73980)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
Synonyms Sources
3-ketocerotoyl-CoA(4−) SUBMITTER
3-ketohexacosanoyl-CoA(4−) SUBMITTER
3-ketohexacosanoyl-coenzyme A(4−) SUBMITTER
3-oxocerotoyl-CoA(4−) SUBMITTER
3-oxohexacosanoyl-CoA UniProt
3-oxohexacosanoyl-coenzyme A(4−) SUBMITTER
Last Modified
05 December 2016