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3-oxooctanoyl-CoA

Properties
MNX_IDMNXM706
formulaC29H44N7O18P3S
charge-4
mass903.683323
referencechebi:62619
Image of MNXM706
InChIKeyWPIVBCGRGVNDDT-CECATXLMSA-J
InChIInChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t18-,22-,23-,24+,28-/m1/s1
SMILESCCCCCC(=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

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref11
Distinct compatimentalized reactions in models9

Similar chemical compounds in external resources
IdentifierDescription
biggM:M_3oocoa
biggM:M_HC01406
chebi:1645
chebi:20175
keggC:M_C05267
seedM:M_cpd03121
secondary/obsolete/fantasy identifier
chebi:62619 3-oxooctanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3-ketooctanoyl-CoA(4-)
3-oxooctanoyl-CoA(4-)
lipidmaps:LMFA07050249 3-Oxooctanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-ketooctanoyl-CoA
3-ketooctanoyl-coenzyme A
3-oxooctanoyl-coenzyme A
CoA(8:0(Ke))
chebi:28264
reactome:R-ALL-77328
3-oxooctanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-Oxooctanoyl-CoA
3-ketooctanoyl-CoA
3-ketooctanoyl-coenzyme A
3-oxooctanoyl-coenzyme A
biggM:3oocoa
keggC:C05267
3-Oxooctanoyl-CoA
sabiorkM:2744 3-Oxooctanoyl-CoA
3-Ketooctanoyl-CoA
seedM:cpd03121 3-Oxooctanoyl-CoA
3-oxooctanoyl-CoA
3oocoa
metacycM:CPD0-2106
slm:000001026
3-oxooctanoyl-CoA
biggM:HC01406 3-Oxo-Octanoyl Coenzyme A
MNXM89944is deprecated and replaced by this entry
MNXM91422is deprecated and replaced by this entry