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name Structure Reference Source Properties Activities Metabolism

3-Aminobutanoic acid; (±)-form

AlkaPlorer ID: AK284419

Synonym: None

IUPAC Name: 3-aminobutanoate

Structure

SMILES: CC(N)CC(=O)[O-]

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InChI: InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1

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InChIKey: OQEBBZSWEGYTPG-UHFFFAOYSA-M

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Properties Information

Molecule Weight: 102.113

TPSA？: 66.15

MolLogP？: -1.526399999999999

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Botrytis cinerea Botrytis cinerea Inhibition 40.0 % 10.1016/j.cropro.2009.03.014
Botrytis cinerea Botrytis cinerea Inhibition 100.0 % 10.1016/j.cropro.2009.03.014
Botrytis cinerea Botrytis cinerea Inhibition nan % 10.1016/j.cropro.2009.03.014
Cucurbita pepo Cucurbita pepo Activity nan None 10.1016/j.cropro.2009.02.005
Homo sapiens 786-0 GI50 5000345.35 nM None
Homo sapiens A498 GI50 5000345.35 nM None
Homo sapiens A549 GI50 2851018.27 nM None
Homo sapiens ACHN GI50 5000345.35 nM None
Homo sapiens CCRF-CEM GI50 5000345.35 nM None
Homo sapiens COLO 205 GI50 5000345.35 nM None
Homo sapiens DLD-1 GI50 5000345.35 nM None
Homo sapiens DMS-114 GI50 5000345.35 nM None
Homo sapiens DMS-273 GI50 5000345.35 nM None
Homo sapiens EKVX GI50 5000345.35 nM None
Homo sapiens HCC 2998 GI50 5000345.35 nM None
Homo sapiens HCT-116 GI50 5000345.35 nM None
Homo sapiens HCT-15 GI50 5000345.35 nM None
Homo sapiens HL-60 GI50 5000345.35 nM None
Homo sapiens HOP-18 GI50 5000345.35 nM None
Homo sapiens HOP-92 GI50 5000345.35 nM None
Homo sapiens HT-29 GI50 5000345.35 nM None
Homo sapiens IGROV-1 GI50 5000345.35 nM None
Homo sapiens K562 GI50 5000345.35 nM None
Homo sapiens KM12 GI50 5000345.35 nM None
Homo sapiens KM-20L2 GI50 5000345.35 nM None
Homo sapiens LXFL 529 GI50 5000345.35 nM None
Homo sapiens M14 GI50 5000345.35 nM None
Homo sapiens M19-MEL GI50 5000345.35 nM None
Homo sapiens Malme-3M GI50 5000345.35 nM None
Homo sapiens MOLT-4 GI50 5000345.35 nM None
Homo sapiens NCI-H226 GI50 5000345.35 nM None
Homo sapiens NCI-H23 GI50 5000345.35 nM None
Homo sapiens NCI-H322M GI50 1625548.76 nM None
Homo sapiens NCI-H460 GI50 5000345.35 nM None
Homo sapiens NCI-H522 GI50 5000345.35 nM None
Homo sapiens OVCAR-3 GI50 5000345.35 nM None
Homo sapiens OVCAR-4 GI50 5000345.35 nM None
Homo sapiens OVCAR-5 GI50 5000345.35 nM None
Homo sapiens RPMI-8226 GI50 5000345.35 nM None
Homo sapiens RXF 393 GI50 5000345.35 nM None
Homo sapiens SF-268 GI50 5000345.35 nM None
Homo sapiens SF-295 GI50 5000345.35 nM None
Homo sapiens SF-539 GI50 5000345.35 nM None
Homo sapiens SK-MEL-2 GI50 5000345.35 nM None
Homo sapiens SK-MEL-28 GI50 5000345.35 nM None
Homo sapiens SK-MEL-5 GI50 5000345.35 nM None
Homo sapiens SK-OV-3 GI50 5000345.35 nM None
Homo sapiens SN12C GI50 5000345.35 nM None
Homo sapiens SNB-75 GI50 5000345.35 nM None
Homo sapiens SNB-78 GI50 5000345.35 nM None
Homo sapiens SR GI50 5000345.35 nM None
Homo sapiens SW-620 GI50 5000345.35 nM None
Homo sapiens TK-10 GI50 5000345.35 nM None
Homo sapiens U-251 GI50 5000345.35 nM None
Homo sapiens UACC-257 GI50 5000345.35 nM None
Homo sapiens UACC-62 GI50 5000345.35 nM None
Homo sapiens UO-31 GI50 5000345.35 nM None
Mus musculus GABA transporter 1 IC50 50118.72 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 2 IC50 812830.52 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 3 IC50 46773.51 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 4 IC50 83176.38 nM 10.1016/j.ejmech.2013.04.063
Phytophthora capsici Phytophthora capsici Activity nan None 10.1016/j.cropro.2009.02.005
Phytophthora capsici Phytophthora capsici Inhibition nan % 10.1016/j.cropro.2009.02.005
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1016/j.cropro.2009.03.014
Tobacco mosaic virus Tobacco mosaic virus Activity 0.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 30.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 46.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 50.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 54.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 55.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 65.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 72.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus Activity 80.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 0.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 4.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 5.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 7.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 8.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 9.0 % 10.1021/jf8031364
Tobacco mosaic virus Tobacco mosaic virus GI 10.0 % 10.1021/jf8031364

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002019 CC(=O)C(=O)O.CC(N)CC(=O)O>>CC(=O)CC(=O)O 64308
AKRT002020 CC(=O)C(=O)O.CC(N)CC(=O)O>>C[C@H](N)C(=O)O 64308
AKRT002217 CC(=O)CC(=O)O.NCCC(=O)O>>CC(N)CC(=O)O enzymemap_41723
AKRT006536 CC(N)CC#N>>CC(N)CC(=O)O enzymemap_79617
AKRT006537 CC(N)CC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(N)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_90309
AKRT006538 CC(N)CC(=O)O>>CC(=O)CC(=O)O enzymemap_42037
AKRT006540 CC(N)CC(=O)[CoA]>>CC(N)CC(=O)O enzymemap_77596
AKRT006543 CC(N)CC=O>>CC(N)CC(=O)O enzymemap_16790