1VU

propionyl Coenzyme A

Find entries where: 1VU

is present as a standalone ligand in 13 entries

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Chemical Component Summary
Name	propionyl Coenzyme A
Identifiers	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] propanethioate
Formula	C₂₄ H₄₀ N₇ O₁₇ P₃ S
Molecular Weight	823.597
Type	NON-POLYMER
Isomeric SMILES	CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChI	InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
InChIKey	QAQREVBBADEHPA-IEXPHMLFSA-N

Chemical Details
Formal Charge	0
Atom Count	92
Chiral Atom Count	5
Bond Count	94
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02912
Name	Propanoyl-CoA
Groups	experimental
Synonyms	Propionyl coenzyme A Propionyl-CoA S-Propionyl-coenzym-A propanoyl-coenzyme A S-propanoyl-CoA S-Propionylcoenzyme A Propanoyl-CoA S-propanoyl-coenzyme A Propionyl-coenzyme A
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	317-66-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Propionyl-CoA carboxylase complex B subunit	MSEPEEQQPDIHTTAGKLADLRRRIEEATHAGSARAVEKQHAKGKLTARE...	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