Cysteine; (±)-form

AlkaPlorer ID: AK294017

Synonym: None

IUPAC Name: 2-azaniumyl-3-sulfanylpropanoate

Structure

SMILES: [NH3+]C(CS)C(=O)[O-]

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InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)

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InChIKey: XUJNEKJLAYXESH-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 121.16099999999996

TPSA: 67.77

MolLogP: -2.7234

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 17782.8 nM None
Homo sapiens ADAM17 Inhibition nan % 10.1016/j.bmcl.2005.06.072
Homo sapiens HepG2 Potency 5623.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 15848.9 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 3162.3 nM None
Homo sapiens Prelamin-A/C Potency 2818.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 35481.3 nM None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 40533.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 50118.7 nM None
None Nucleic Acid Cleavage 16.2 % 10.1016/j.bmcl.2004.11.066
None Nucleic Acid Cleavage 28.4 % 10.1016/j.bmcl.2004.11.066
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 39810.7 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004283 CC(=O)OC[C@H](N)C(=O)O>>NC(CS)C(=O)O MNXR180461
AKRT007091 CCC(=O)C(=O)O.NC(CS)C(=O)O>>N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O MNXR151549
AKRT012637 C[33S].NC(CS)C(=O)O>>CSCC(N)C(=O)O None
AKRT014635 C[SAH].NC(CS)C(=O)O>>CSCC(N)C(=O)O enzymemap_25658
AKRT015638 N#CC[C@H](N)C(=O)O>>NC(CS)C(=O)O MNXR147878
AKRT017033 NC(=O)NC(CS)C(=O)O>>NC(CS)C(=O)O enzymemap_78015
AKRT017406 NC(CS)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O>>NC(CSSCC(N)C(=O)O)C(=O)O R01109
AKRT017407 NC(CS)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O R01109
AKRT017408 NC(CS)C(=O)O>>N[C@@H](CS)C(=O)O MNXR151243
AKRT017410 NC(CSSCC(N)C(=O)O)C(=O)O>>NC(CS)C(=O)O R01109
AKRT018891 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>NC(CS)C(=O)O R01109
AKRT019510 N[C@@H](CO)C(=O)O>>NC(CS)C(=O)O MNXR147855
AKRT019578 N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O>>NC(CS)C(=O)O MNXR172108
AKRT020324 N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O>>NC(CS)C(=O)O MNXR180476