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decanedioyl-CoA

MNXM10471 is deprecated and here replaced by MNXM726242
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726242

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

formula

C₃₁H₄₇N₇O₁₉P₃S

charge

-5

mass

946.18877

reference

chebi:76316

InChIKey

JZXNELIZHJCEFA-PVMJKYSESA-I

InChI

InChI=1S/C31H52N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t19-,24-,25-,26+,30-/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76316 chebi:76316	decanedioyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatononanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} decanedioyl-CoA(5-) decanedioyl-coenzyme A(5-)
SLM:000389484 slm:000389484	Decanedioyl-CoA
bigg.metabolite:sebcoa biggM:sebcoa	Sebacoyl Coenzyme A
CHEBI:76345 chebi:76345	decanedioyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxynonanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 9-carboxynonanoyl-CoA 9-carboxynonanoyl-coenzyme A decanedioyl-coenzyme A sebacoyl-CoA sebacoyl-coenzyme A
biggM:M_sebcoa	secondary/obsolete/fantasy identifier