6-Fluoro-DL-tryptophan

AlkaPlorer ID: AK215500

Synonym: None

IUPAC Name: 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

Structure

SMILES: NC(CC1=CNC2=C1C=CC(F)=C2)C(=O)O

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InChI: InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)

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InChIKey: YMEXGEAJNZRQEH-UHFFFAOYSA-N

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Reference

PubChem CID: 94937

CAS: 108391-82-8

NPASS: NPC480326

COCONUT: CNP0476154

Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus fumigatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 222.219

TPSA: 79.11

MolLogP: 1.2614000000000003

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Amphibalanus improvisus Amphibalanus improvisus Activity nan None 10.1021/np0302403
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 55.1 % 10.1021/np800501m
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 55.5 % 10.1021/np800501m
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
None Unchecked Activity 13.8 % 10.1021/np800501m
None Unchecked Activity 17.7 % 10.1021/np800501m

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005222 CC(C)=CCOP(=O)(O)OP(=O)(O)O.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O>>CC(C)=CCc1c(F)ccc2c(CC(N)C(=O)O)c[nH]c12 enzymemap_41290
AKRT005223 CC(C)=CCOP(=O)(O)OP(=O)(O)O.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O>>CC(C)=CCc1cc(F)cc2[nH]cc(CC(N)C(=O)O)c12 enzymemap_40442