MCS

MALONYL CYSTEINE

Created:	2007-02-02
Last modified:	2024-09-27

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5 entries where MCS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of MCS

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Chemical Component Summary
Name	MALONYL CYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-(3-hydroxy-3-oxo-propanoyl)sulfanyl-propanoic acid
Formula	C₆ H₉ N O₅ S
Molecular Weight	207.204
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSC(=O)CC(=O)O
SMILES	CACTVS	3.341	N[CH](CSC(=O)CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)N)SC(=O)CC(=O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CSC(=O)CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)N)SC(=O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
InChIKey	InChI	1.03	SAKROQSNEZIDKV-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	49867289

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.