KCY

D-homocysteine

Created:	2015-03-10
Last modified:	2024-09-27

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1 entries where KCY is covalently linked to polymer or other heterogen groups 1 entries where KCY is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of KCY

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Chemical Component Summary
Name	D-homocysteine
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-4-sulfanyl-butanoic acid
Formula	C₄ H₉ N O₂ S
Molecular Weight	135.185
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(N)CCS)(=O)O
SMILES	CACTVS	3.385	N[CH](CCS)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CS)C(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@H](CCS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CS)[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
InChIKey	InChI	1.03	FFFHZYDWPBMWHY-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	134603, 6971069
CCDC/CSD	YOJXOM, YOJXOM01, YOJXOM03, YOJXOM02, YOJXOM04, YOJXOM05, YOJXOM06, YOJXOM07, YOJXOM08, YOJXOM09, YOJXOM10
COD	1516810, 1516809, 1516807, 1516808, 1516806, 1516805, 1516803, 1516804, 1516802, 1516801, 1516800

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