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BioLiP

PDB CCD ID: TNQ
Number of entries in BioLiP: 0
Chemical formula: C13 H15 N3 O5
InChI: InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
InChIKey: OVNQKDAKGBDVIB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NCC(=O)O
CACTVS 3.385N[C@@H](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O
CACTVS 3.385N[CH](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O
ACDLabs 12.01NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
Name:6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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