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(R)-malyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM48549

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₂₅H₃₅N₇O₂₀P₃S

charge

-5

mass

878.08979

reference

chebi:77427

InChIKey

HJQWLHMLMCDAEL-UEOCDHLLSA-I

InChI

InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/p-5/t12-,13-,17-,18-,19+,23-/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)C[C@@H](O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77427 chebi:77427	(R)-malyl-CoA (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5-) (3R)-3-carboxylato-3-hydroxypropanoyl-coenzyme A(5-) (R)-malyl-coenzyme A(5-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxylato-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} D-malyl-CoA D-malyl-CoA(5-) D-malyl-coenzyme A(5-)
seed.compound:cpd25689 seedM:cpd25689	(2R)-4-malyl-CoA (R)-malyl-CoA D-malyl-CoA
CHEBI:77653 chebi:77653	(3R)-3-carboxy-3-hydroxypropanoyl-CoA (3R)-3-carboxy-3-hydroxypropanoyl-coenzyme A (R)-malyl-CoA (R)-malyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} D-malyl-CoA D-malyl-coenzyme A
seed.compound:cpd31319 seedM:cpd31319 kegg.compound:C20747 keggC:C20747	(R)-Malyl-CoA (3R)-3-Carboxy-3-hydroxypropanoyl-CoA
metacyc.compound:CPD-9449 metacycM:CPD-9449	(R)-malyl-CoA (2R)-4-malyl-CoA D-malyl-CoA
sabiork.compound:30202 sabiorkM:30202	D-Malyl-CoA
keggC:M_C20747 seedM:M_cpd25689 seedM:M_cpd31319	secondary/obsolete/fantasy identifier