CSA

S-ACETONYLCYSTEINE

Created:	2000-09-18
Last modified:	2024-09-27

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5 entries where CSA 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 CSA

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Chemical Component Summary
Name	S-ACETONYLCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-(2-oxopropylsulfanyl)propanoic acid
Formula	C₆ H₁₁ N O₃ S
Molecular Weight	177.221
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSCC(=O)C
SMILES	CACTVS	3.341	CC(=O)CSC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)CSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(=O)CSC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)CSC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey	InChI	1.03	BYMSHHJFWDLNBG-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank ID	DB03858
Name	S-Acetonylcysteine
Groups	experimental
Synonyms	S-Acetonylcysteine

Related Resource References

Resource Name	Reference
PubChem	17753922

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