KHB

N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine

Created:	2018-02-05
Last modified:	2024-09-27

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3 entries where KHB is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	35
Aromatic Bond Count	0

2D diagram of KHB

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Chemical Component Summary
Name	N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-6-[[(3~{S})-3-oxidanylbutanoyl]amino]hexanoic acid
Formula	C₁₀ H₂₀ N₂ O₄
Molecular Weight	232.277
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C(O)=O)CCCCNC(=O)CC(O)C
SMILES	CACTVS	3.385	C[CH](O)CC(=O)NCCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(CC(=O)NCCCCC(C(=O)O)N)O
Canonical SMILES	CACTVS	3.385	C[C@H](O)CC(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1
InChIKey	InChI	1.03	NFPICWYWQOLZEW-YUMQZZPRSA-N

Related Resource References

Resource Name	Reference
PubChem	137349647

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