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3-amino-4-(1H-indol-3-yl)butanoic acid

AlkaPlorer ID: AK028804

Synonym: None

IUPAC Name: (3S)-3-amino-4-(1H-indol-3-yl)butanoic acid

Structure

SMILES: N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1

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InChIKey: DUVVFMLAHWNDJD-VIFPVBQESA-N

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Reference

PubChem CID: 7145026

CAS: 192003-01-3

NPASS: NPC480316

Source

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

Properties Information

Molecule Weight: 218.256

TPSA？: 79.11000000000001

MolLogP？: 1.512399999999999

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 1.1 % 10.1021/np800501m
Aspergillus fumigatus Brevianamide F prenyltransferase Activity 5.5 % 10.1021/np800501m
None Unchecked Activity 1.1 % 10.1021/np800501m
None Unchecked Activity 3.4 % 10.1021/np800501m

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005248 CC(C)=CCOP(=O)(O)OP(=O)(O)O.N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2[nH]cc(C[C@H](N)CC(=O)O)c12 enzymemap_40431
AKRT005249 CC(C)=CCOP(=O)(O)OP(=O)(O)O.N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2c(C[C@H](N)CC(=O)O)c[nH]c12 enzymemap_41323
AKRT007253 CCC(C)[C@H](NC(=O)C[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1>>CCC(C)[C@H](N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1.N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12 None
AKRT007254 CCC(C)[C@H](NC(=O)C[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1>>N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12 enzymemap_65822