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Selenocysteine

AlkaPlorer ID: AK025717

Synonym: None

IUPAC Name: (2R)-2-amino-3-selanylpropanoic acid

Structure

SMILES: N[C@@H](C[SeH])C(=O)O

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InChI: InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

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InChIKey: ZKZBPNGNEQAJSX-REOHCLBHSA-N

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Properties Information

Molecule Weight: 168.054

TPSA？: 63.32000000000001

MolLogP？: -1.2826000000000002

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cricetulus griseus V79 IC50 34000.0 nM 10.1021/jm020496q
None Unchecked Fold induction 4.2 None 10.1021/jm020496q

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004287 CC(=O)OC[C@H](N)C(=O)O>>N[C@@H](C[SeH])C(=O)O RXN-12726
AKRT012654 C[33S].N[C@@H](C[SeH])C(=O)O>>C[Se]C[C@H](N)C(=O)O None
AKRT013661 C[C@H](N)C(=O)O>>N[C@@H](C[SeH])C(=O)O MNXR104312
AKRT014430 C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](C[SeH])C(=O)O>>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](N)C(=O)O)n1)C(=O)O RXN-15803
AKRT014462 C[S+](C)CC[C@H](N)C(=O)O.N[C@@H](C[SeH])C(=O)O>>CSCC[C@H](N)C(=O)O.C[Se]C[C@H](N)C(=O)O None
AKRT014463 C[S+](C)CC[C@H](N)C(=O)O.N[C@@H](C[SeH])C(=O)O>>C[Se]C[C@H](N)C(=O)O RXN-14164
AKRT014674 C[SAH].N[C@@H](C[SeH])C(=O)O>>C[Se]C[C@H](N)C(=O)O R04931
AKRT019372 N[C@@H](CCOP(=O)(O)O)C(=O)O.N[C@@H](C[SeH])C(=O)O>>N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O RXN-12728
AKRT019704 N[C@@H](C[SeH])C(=O)O.N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O>>N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O enzymemap_40605
AKRT019705 N[C@@H](C[SeH])C(=O)O.N[C@@H](CCOP(=O)(O)O)C(=O)O>>N[C@@H](CC[Se]C[C@H](N)C(=O)O)C(=O)O enzymemap_40652
AKRT019706 N[C@@H](C[SeH])C(=O)O>>C[C@H](N)C(=O)O R03599