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3-oxohexacosanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1106079Image of MNXM1106079
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 8
formulaC47H80N7O18P3S
charge-4
mass1155.45153
referencechebi:73980
InChIKeyVOMUIFOBQMYJPJ-CPIGOPAHSA-J
InChIInChI=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
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:73980
chebi:73980 		3-oxohexacosanoyl-CoA
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}
3-ketocerotoyl-CoA(4-)
3-ketohexacosanoyl-CoA(4-)
3-ketohexacosanoyl-coenzyme A(4-)
3-oxocerotoyl-CoA(4-)
3-oxohexacosanoyl-CoA(4-)
3-oxohexacosanoyl-coenzyme A(4-)
bigg.metabolite:3ohxccoa
biggM:3ohxccoa 		3 Oxohexacosyl CoA
hmdb:HMDB0060241 3-Oxohexacosyl-CoA
3-Ketocerotoyl-CoA
3-Ketohexacosanoyl-CoA
3-Ketohexacosanoyl-coenzyme A
3-Oxocerotoyl-CoA
3-Oxohexacosanoyl-coenzyme A
3-oxocerotoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050241
lipidmapsM:LMFA07050241 		3-ketocerotoyl-CoA
3-ketohexacosanoyl-CoA
3-ketohexacosanoyl-coenzyme A
3-oxocerotoyl-CoA
3-oxohexacosanoyl-CoA
3-oxohexacosanoyl-coenzyme A
CoA 26:1
O
seed.compound:cpd24265
seedM:cpd24265 		3-oxo-cerotoyl-CoA
3-oxohexacosanoyl-CoA
metacyc.compound:CPD-14274
metacycM:CPD-14274 		3-oxocerotoyl-CoA
3-oxohexacosanoyl-CoA
SLM:000000589
slm:000000589 		3-oxohexacosanoyl-CoA
reactome:R-ALL-390241
reactomeM:R-ALL-390241
reactome:R-ALL-548797
reactomeM:R-ALL-548797
CHEBI:52977
chebi:52977 		3-oxohexacosanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
3-ketocerotoyl-CoA
3-ketohexacosanoyl-CoA
3-ketohexacosanoyl-coenzyme A
3-oxocerotoyl-CoA
3-oxohexacosanoyl-coenzyme A
hmdb:HMDB60241
chebi:52370
chebi:52959
biggM:M_3ohxccoa
seedM:M_cpd24265 		secondary/obsolete/fantasy identifier