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3-oxooctanoyl-CoA

MNXM706 is deprecated and here replaced by MNXM1093448
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1093448Image of MNXM1093448
#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 13
formulaC29H44N7O18P3S
charge-4
mass903.16983
referencechebi:62619
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](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:62619
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-)
bigg.metabolite:HC01406
biggM:HC01406 		3-Oxo-Octanoyl Coenzyme A
bigg.metabolite:3oocoa
biggM:3oocoa
kegg.compound:C05267
keggC:C05267 		3-Oxooctanoyl-CoA
lipidmaps:LMFA07050249
lipidmapsM: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 8:1
O
sabiork.compound:2744
sabiorkM:2744 		3-Oxooctanoyl-CoA
3-Ketooctanoyl-CoA
hmdb:HMDB0003941 3-Oxooctanoyl-CoA
3-Ketooctanoyl-CoA
3-Ketooctanoyl-coenzyme A
3-Oxooctanoyl coenzyme A
3-Oxooctanoyl-coenzyme A
S-(3-Oxooctanoate
S-(3-Oxooctanoate) CoA
S-(3-Oxooctanoate) coenzyme A
S-(3-Oxooctanoic acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxooctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxooctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd03121
seedM:cpd03121 		3-Oxooctanoyl-CoA
3-oxooctanoyl-CoA
3oocoa
bigg.metabolite:o3xooctcoa
biggM:o3xooctcoa 		3-oxo-octanoyl-coa
metacyc.compound:CPD0-2106
metacycM:CPD0-2106
SLM:000001026
slm:000001026 		3-oxooctanoyl-CoA
reactome:R-ALL-77328
reactomeM:R-ALL-77328
CHEBI:28264
chebi:28264 		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
hmdb:HMDB03941
chebi:1645
chebi:20175
biggM:M_3oocoa
biggM:M_HC01406
biggM:M_o3xooctcoa
keggC:M_C05267
seedM:M_cpd03121 		secondary/obsolete/fantasy identifier