3-oxotetradecanoyl-CoA

Properties MNX_ID MNXM707 formula C35H56N7O18P3S charge -4 mass 987.842803 reference chebi:62543

InChIKey	IQNFBGHLIVBNOU-QSGBVPJFSA-J
InChI	InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t24-,28-,29-,30+,34-/m1/s1
SMILES	CCCCCCCCCCCC(=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 MNXref	7
Distinct compatimentalized reactions in models	10

Similar chemical compounds in external resources

Identifier	Description
slm:000001022	3-oxotetradecanoyl-CoA
hmdb:HMDB0003935	3-Oxotetradecanoyl-CoA 3-Oxomyristoyl-CoA 3-Oxomyristoyl-coenzyme A 3-oxotetradecanoyl-coa 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}3'-phosphoadenosine S-(3-Oxotetradecanoate S-(3-Oxotetradecanoate) CoA S-(3-Oxotetradecanoate) coenzyme A S-(3-Oxotetradecanoic acid {[(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-oxotetradecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050256	3-ketotetradecanoyl-CoA 3-oxomyristoyl-CoA 3-oxotetradecanoyl-CoA CoA(14:0(Ke))
biggM:M_3otdcoa chebi:1654 chebi:20183 hmdb:HMDB0006527 hmdb:HMDB03935 hmdb:HMDB06527 keggC:M_C05261 seedM:M_cpd12689	secondary/obsolete/fantasy identifier
chebi:28726 reactome:R-ALL-77269	3-oxotetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-Oxotetradecanoyl-CoA 3-oxomyristoyl-CoA
chebi:62543	3-oxotetradecanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-oxo-myristoyl-CoA(4-) 3-oxomyristoyl-CoA(4-) 3-oxotetradecanoyl-CoA(4-)
seedM:cpd12689	3-Oxotetradecanoyl-CoA 3-oxo-myristoyl-CoA 3-oxotetradecanoyl-CoA 3otdcoa
metacycM:CPD-10284	3-oxomyristoyl-CoA 3-oxotetradecanoyl-CoA
biggM:3otdcoa keggC:C05261 sabiorkM:2738	3-Oxotetradecanoyl-CoA
MNXM89996	is deprecated and replaced by this entry
MNXM91424	is deprecated and replaced by this entry