Tyrosine; (S)-form, N-Ac 

AlkaPlorer ID: AK317039

Synonym: None

IUPAC Name: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)O

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InChI: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)

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InChIKey: CAHKINHBCWCHCF-UHFFFAOYSA-N

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Reference

PubChem CID: 89216

CAS: 19764-32-0

SuperNatural Ⅲ: SN0040293-01

COCONUT: CNP0329241.3

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 223.228

TPSA: 86.63000000000001

MolLogP: 0.5239999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Fatty acid binding protein adipocyte Delta Tm -0.1 degrees C 10.1016/j.bmc.2016.07.022
Homo sapiens Fatty acid binding protein adipocyte Inhibition -3.6 % 10.1016/j.bmc.2016.07.022
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens Histone deacetylase 6 Inhibition -5.6 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.23 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002325 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O>>CC(=O)O enzymemap_76675
AKRT002326 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O>>CC(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O None
AKRT002327 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O>>NC(Cc1ccc(O)cc1)C(=O)O enzymemap_76675
AKRT002328 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O>>N[C@@H](Cc1ccc(O)cc1)C(=O)O enzymemap_76715
AKRT002329 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O>>N[C@H](Cc1ccc(O)cc1)C(=O)O enzymemap_77908
AKRT004090 CC(=O)O.N[C@H](Cc1ccc(O)cc1)C(=O)O>>CC(=O)NC(Cc1ccc(O)cc1)C(=O)O enzymemap_77908