MLC

MALONYL-COENZYME A

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is present as a standalone ligand in 15 entries

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Chemical Component Summary
Name	MALONYL-COENZYME A
Identifiers	3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-propanoic acid
Formula	C₂₄ H₃₈ N₇ O₁₉ P₃ S
Molecular Weight	853.58
Type	NON-POLYMER
Isomeric SMILES	CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O
InChI	InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
InChIKey	LTYOQGRJFJAKNA-DVVLENMVSA-N

Chemical Details
Formal Charge	0
Atom Count	92
Chiral Atom Count	7
Bond Count	94
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB04524
Name	Malonyl-CoA
Groups	experimental
Description	A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.
Synonyms	S-(Hydrogen malonyl)coenzyme A Malonyl coenzyme A Malonyl-CoA Coenzyme A, S-(hydrogen propanedioate)
Categories	Adenine Nucleotides Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides Thioesters of coenzyme A
CAS number	524-14-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-oxoacyl-[acyl-carrier-protein] synthase 3	MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNET...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682