PR3

S,S-PROPYLTHIOCYSTEINE

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where PR3 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

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Chemical Component Summary
Name	S,S-PROPYLTHIOCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-propyldisulfanyl-propanal
Formula	C₆ H₁₃ N O S₂
Molecular Weight	179.304
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CC(N)CSSCCC
SMILES	CACTVS	3.341	CCCSSC[CH](N)C=O
SMILES	OpenEye OEToolkits	1.5.0	CCCSSCC(C=O)N
Canonical SMILES	CACTVS	3.341	CCCSSC[C@H](N)C=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCSSC[C@@H](C=O)N
InChI	InChI	1.03	InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1
InChIKey	InChI	1.03	JOUZYBMKOXDVCY-ZCFIWIBFSA-N

Drug Info: DrugBank

DrugBank ID	DB03654
Name	S,S-Propylthiocysteine
Groups	experimental
Synonyms	S,S-Propylthiocysteine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thermonuclease	MLVMTEYLLSAGICMAIVSILLIGMAISNVSKGQYAKRFFFFATSCLVLT...	unknown
Listeriolysin regulatory protein	MNAQAEEFKKYLETNGIKPKQFHKKELIFNQWDPQEYCIFLYDGITKLTS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682