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3-oxodecanoyl-CoA

MNXM677 is deprecated and here replaced by MNXM1104685
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104685

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	10

formula

C₃₁H₄₈N₇O₁₈P₃S

charge

-4

mass

931.20113

reference

chebi:62548

InChIKey

AZCVXMAPLHSIKY-HSJNEKGZSA-J

InChI

InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1

SMILES

CCCCCCCC(=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
Identifier	Description
CHEBI:62548 chebi:62548	3-oxodecanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-oxodecanoyl-CoA(4-)
sabiork.compound:21032 sabiorkM:21032	3-Ketodecanoyl-CoA
bigg.metabolite:3odcoa biggM:3odcoa sabiork.compound:2742 sabiorkM:2742 kegg.compound:C05265 keggC:C05265	3-Oxodecanoyl-CoA
seed.compound:cpd03119 seedM:cpd03119	3-Oxodecanoyl-CoA 3-oxodecanoyl-CoA 3odcoa
metacyc.compound:CPD0-2123 metacycM:CPD0-2123 SLM:000001028 slm:000001028	3-oxodecanoyl-CoA
reactome:R-ALL-77339 reactomeM:R-ALL-77339 CHEBI:28528 chebi:28528	3-oxodecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-Oxodecanoyl-CoA 3-ketodecanoyl-CoA 3-ketodecanoyl-coenzyme A 3-oxodecanoyl-coenzyme A
lipidmaps:LMFA07050239 lipidmapsM:LMFA07050239	3-oxodecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-ketodecanoyl-CoA 3-ketodecanoyl-coenzyme A 3-oxodecanoyl-coenzyme A CoA 10:1 O
chebi:1633 chebi:20166 biggM:M_3odcoa keggC:M_C05265 seedM:M_cpd03119	secondary/obsolete/fantasy identifier