CYK

N-hexanoyl-L-homocysteine

Created:	2008-06-18
Last modified:	2011-06-04

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1 entries where CYK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	0

2D diagram of CYK

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Chemical Component Summary
Name	N-hexanoyl-L-homocysteine
Systematic Name (OpenEye OEToolkits)	(2S)-2-(hexanoylamino)-4-sulfanyl-butanoic acid
Formula	C₁₀ H₁₉ N O₃ S
Molecular Weight	233.328
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)CCCCC)CCS
SMILES	CACTVS	3.341	CCCCCC(=O)N[CH](CCS)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)NC(CCS)C(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCC(=O)N[C@@H](CCS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(=O)N[C@@H](CCS)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKey	InChI	1.03	HAUWXQBEWNVHPD-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB07603
Name	N-hexanoyl-L-homocysteine
Groups	experimental
Synonyms	N-hexanoyl-L-homocysteine

Related Resource References

Resource Name	Reference
PubChem	24860536

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.