OCS

CYSTEINESULFONIC ACID

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

Find Related PDB Entry
2 entries where OCS is found as a standalone ligand310 entries where OCS is found in a polymer sequence

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	CYSTEINESULFONIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-3-sulfo-propanoic acid
Formula	C₃ H₇ N O₅ S
Molecular Weight	169.156
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)CC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](C[S](O)(=O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(=O)O)N)S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	N[C@@H](C[S](O)(=O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H](C(=O)O)N)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey	InChI	1.03	XVOYSCVBGLVSOL-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank ID	DB03661
Name	L-cysteic acid
Groups	experimental
Description	L-cysteic acid is a beta-sulfoalanine. It is an amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.
Synonyms	2-Amino-3-sulfopropionic acid Cysteinesulfonic acid 3-sulfo-L-alanine Cysteric acid (2R)-2-amino-3-sulfopropanoic acid 3-Sulfoalanine L-Cysteate L-cysteic acid
Categories	Amino Acids Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Sulfur Compounds
CAS number	498-40-8

Drug Targets

Name	Target Sequence	Pharmacological Action
3-oxoacyl-[acyl-carrier-protein] synthase 3	MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNET...	unknown
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown
Penicillin acylase	MLGCSSLSIRTTDDKSLFARTMDFTMEPDSKVIIVPRNYGIRLLEKENVV...	unknown
S-ribosylhomocysteine lyase	MPSVESFELDHNAVVAPYVRHCGVHKVGTDGVVNKFDIRFCQPNKQAMKP...	unknown
Deoxynucleotide monophosphate kinase	MKLIFLSGVKRSGKDTTADFIMSNYSAVKYQLAGPIKDALAYAWGVFAAN...	unknown
M-phase inducer phosphatase 2	MEVPQPEPAPGSALSPAGVCGGAQRPGHLPGLLLGSHGLLGSPVRAAASS...	unknown
Beta-lactamase class B VIM-2	MFKLLSKLLVYLTASIMAIASPLAFSVDSSGEYPTVSEIPVGEVRLYQIA...	unknown
Ribose 5-phosphate isomerase B	MKIAIASDHAAFELKEKVKNYLLGKGIEVEDHGTYSEESVDYPDYAKKVV...	unknown
Cathepsin L1	MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRA...	unknown
Methylaspartate ammonia-lyase	MKIVDVLCTPGLTGFYFDDQRAIKKGAGHDGFTYTGSTVTEGFTQVRQKG...	unknown
1-cys peroxiredoxin	MRMRRTILIFTVILIPLTFCFKNALIKHSINIVSKRGNSKNRFSQKVYES...	unknown
Peptide deformylase	MVYPIRLYGDPVLRRKARPVEDFSGIKRLAEDMLETMFEAKGVGLAAPQI...	unknown
Golgi-associated plant pathogenesis-related protein 1	MGKSASKQFHNEVLKAHNEYRQKHGVPPLKLCKNLNREAQQYSEALASTR...	unknown
Glutamine amidotransferase class-I	MRVLAIRHVEIEDLGMMEDIFREKNWSFDYLDTPKGEKLERPLEEYSLVV...	unknown
Peptide deformylase	MYRIRVFGDPVLRKRAKPVTKFDENLKKTIERMIETMYHYDGVGLAAPQV...	unknown
View More

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