CSD

3-SULFINOALANINE

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

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-SULFINOALANINE
Synonyms	S-CYSTEINESULFINIC ACID; S-SULFINOCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-3-[(S)-oxidanylsulfinyl]propanoic acid
Formula	C₃ H₇ N O₄ S
Molecular Weight	153.157
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CS(=O)O
SMILES	CACTVS	3.385	N[CH](C[S](O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(=O)O)N)S(=O)O
Canonical SMILES	CACTVS	3.385	N[C@@H](C[S](O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H](C(=O)O)N)[S@@](=O)O
InChI	InChI	1.03	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKey	InChI	1.03	ADVPTQAUNPRNPO-REOHCLBHSA-N

Drug Info: DrugBank

DrugBank ID	DB02153
Name	3-sulfino-L-alanine
Groups	experimental
Synonyms	L-Cysteinesulfinic acid S-Sulfinocysteine 3-Sulphino-L-alanine S-Cysteinesulfinic acid 3-sulfino-L-alanine (2R)-2-amino-3-sulfinopropanoic acid 3-sulfinoalanine
CAS number	1115-65-7

Drug Targets

Name	Target Sequence	Pharmacological Action
Pyridoxamine kinase	MMKNILAIQSHVVYGHAGNSAAEFPMRRLGANVWPLNTVQFSNHTQYGKW...	unknown
Beta-lactamase 2	MKKNTLLKVGLCVGLLGTIQFVSTISSVQASQKVEKTVIKNETGTISISQ...	unknown
Poly(A) polymerase alpha	MPFPVTTQGSQQTQPPQKHYGITSPISLAAPKETDCVLTQKLIETLKPFG...	unknown
Chorismate mutase AroH	MMIRGIRGATTVERDTEEEILQKTKQLLEKIIEENHTKPEDVVQMLLSAT...	unknown
Glutathione reductase, mitochondrial	MALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEP...	unknown
S-ribosylhomocysteine lyase	MPDMANVESFDLDHTKVKAPYVRLAGVKTTPKGDQISKYDLRFLQPNQGA...	unknown
Carboxymethylenebutenolidase	MLTEGISIQSYDGHTFGALVGSPAKAPAPVIVIAQEIFGVNAFMRETVSW...	unknown
Dimethyl sulfoxide/trimethylamine N-oxide reductase	MTKLSGQELHAELSRRAFLSYTAAVGALGLCGTSLLAQGARAEGLANGEV...	unknown
Peroxiredoxin-2	MASGNARIGKPAPDFKATAVVDGAFKEVKLSDYKGKYVVLFFYPLDFTFV...	unknown
Peptide deformylase	MLTMKDIIRDGHPTLRQKAAELELPLTKEEKETLIAMREFLVNSQDEEIA...	unknown
Malonamidase E2	MISLADLQRRIETGELSPNAAIAQSHAAIEAREKEVHAFVRHDKSARAQA...	unknown
HMG-CoA synthase	MTIGIDKINFYVPKYYVDMAKLAEARQVDPNKFLIGIGQTEMAVSPVNQD...	unknown
Osmotically inducible protein C	MPVRKAKAVWEGGLRQGKGVMELQSQAFQGPYSYPSRFEEGEGTNPEELI...	unknown
Fatty acid-binding protein, adipocyte	MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVI...	unknown
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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