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(3R)-3-amino-4-(trimethylammonio)butanoate

AlkaPlorer ID: AK318806

Synonym: None

IUPAC Name: (3R)-3-amino-4-(trimethylazaniumyl)butanoate

Structure

SMILES: C[N+](C)(C)C[C@H](N)CC(=O)[O-]

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InChI: InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1

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InChIKey: DAWBGYHPBBDHMQ-ZCFIWIBFSA-N

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Reference

PubChem CID: 121830

CAS: 5455-02-7

SuperNatural Ⅲ: SN0060838-01

NPASS: NPC17244

Properties Information

Molecule Weight: 160.21699999999998

TPSA？: 66.15

MolLogP？: -1.8400999999999967

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Carnitine O-palmitoyltransferase 1, liver isoform IC50 76400.0 nM 10.1021/jm100809g
Homo sapiens Carnitine O-palmitoyltransferase 1, muscle isoform IC50 100000.0 nM 10.1021/jm100809g
Homo sapiens Carnitine palmitoyltransferase 2 IC50 3900.0 nM 10.1021/jm100809g
Homo sapiens KB IC50 970.0 nM 10.1021/jm100809g
Rattus norvegicus Carnitine palmitoyltransferase 1B IC50 27300.0 nM 10.1021/jm100809g
Rattus norvegicus Carnitine palmitoyltransferase 2 IC50 800.0 nM 10.1021/jm100809g
Rattus norvegicus Carnitine palmitoyltransferase 2 IC50 5100.0 nM 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 16.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 68.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 88.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 244.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 684.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Activity 1034.0 % 10.1021/jm100809g
Rattus norvegicus Rattus norvegicus Inhibition 11.0 % 10.1021/jm00391a030
Rattus norvegicus Rattus norvegicus Inhibition 36.0 % 10.1021/jm00391a030
Rattus norvegicus Rattus norvegicus Inhibition 59.0 % 10.1021/jm00391a030
Rattus norvegicus Rattus norvegicus Inhibition 90.0 % 10.1021/jm00391a030
None Unchecked IC50 3200.0 nM 10.1021/jm100809g
None Unchecked IC50 5400.0 nM 10.1021/jm100809g
None Unchecked IC50 12000.0 nM 10.1021/jm100809g

Metabolism Information