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4,8-dimethylnonanoyl-CoA

MNXM6100 is deprecated and here replaced by MNXM1104447
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104447

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	17

formula

C₃₂H₅₂N₇O₁₇P₃S

charge

-4

mass

931.23752

reference

chebi:77061

InChIKey

YGNKJFPEXQCWDB-ANHZDMDASA-J

InChI

InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t20?,21-,25-,26-,27+,31-/m1/s1

SMILES

CC(C)CCCC(C)CCC(=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:77061 chebi:77061	4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA(4-)
bigg.metabolite:dmnoncoa biggM:dmnoncoa	4,8 dimethylnonanoyl-CoA
sabiork.compound:20008 sabiorkM:20008	4,8-Dimethylnonanoyl-CoA
lipidmaps:LMFA07050260 lipidmapsM:LMFA07050260	4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-Coenzyme A CoA 11:0
reactome:R-ALL-390271 reactomeM:R-ALL-390271 CHEBI:63856 chebi:63856	4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-Coenzyme A
biggM:M_dmnoncoa	secondary/obsolete/fantasy identifier