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L-saccharopinate(1-)

AlkaPlorer ID: AK007686

Synonym: 'L-saccharopinate', '', 'N6-(L-1,3-Dicarboxypropyl)-L-lysine', 'epsilon-N-(L-Glutar-2-yl)-L-lysine', 'L-saccharopine', 'L-Saccharopine', 'Saccharopine', 'N-(S)-5-Amino-5-carboxypentyl-L-glutamic acid', 'L-saccharopinate anion'

IUPAC Name: (4S)-4-[[(5S)-5-amino-5-carboxypentyl]amino]-5-hydroxy-5-oxopentanoate

Structure

SMILES: N[C@@H](CCCCN[C@@H](CCC(=O)[O-])C(=O)O)C(=O)O

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InChI: InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t7-,8-/m0/s1

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InChIKey: ZDGJAHTZVHVLOT-YUMQZZPRSA-M

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Properties Information

Molecule Weight: 275.281

TPSA？: 152.78

MolLogP？: -1.8584999999999967

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT018110 NCCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O 1.5.1.8-RXN
AKRT019099 N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCC=O)C(=O)O>>N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O RXN3O-127
AKRT019313 N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>NCCCC[C@H](N)C(=O)O 1.5.1.7-RXN
AKRT019314 N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O 1.5.1.9-RXN
AKRT019315 N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>N[C@@H](CCCC=O)C(=O)O 1.5.1.9-RXN
AKRT019316 N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>O=C(O)CCC(=O)C(=O)O 1.5.1.7-RXN