HXC

HEXANOYL-COENZYME A

Find entries where: HXC

is present as a standalone ligand in 10 entries

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Chemical Component Summary
Name	HEXANOYL-COENZYME A
Identifiers	S-[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]ethyl] hexanethioate
Formula	C₂₇ H₄₆ N₇ O₁₇ P₃ S
Molecular Weight	865.677
Type	NON-POLYMER
Isomeric SMILES	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O
InChI	InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
InChIKey	OEXFMSFODMQEPE-HDRQGHTBSA-N

Chemical Details
Formal Charge	0
Atom Count	101
Chiral Atom Count	7
Bond Count	103
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02563
Name	Hexanoyl-CoA
Groups	experimental
Synonyms	S-hexanoyl-coenzyme-A S-hexanoyl-CoA Hexanoyl-CoA n-hexanoyl-CoA caproyl-CoA S-Hexanoyl-coenzym-A Hexanoyl-Coenzyme A caproyl-coenzyme A n-hexanoyl-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	5060-32-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Enoyl-CoA hydratase, mitochondrial	MAALRVLLSCVRGPLRPPVRCPAWRPFASGANFEYIIAEKRGKNNTVGLI...	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