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BioLiP Library

PDB CCD ID: AL0
Number of entries in BioLiP: 2
Chemical formula: C3 H7 N3 O4
InChI: InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1
InChIKey: MLFKVJCWGUZWNV-REOHCLBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CN(O)N=O
CACTVS 3.341N[C@@H](CN(O)N=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)N(N=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N(N=O)O
CACTVS 3.341N[CH](CN(O)N=O)C(O)=O
Name:3-[HYDROXY(NITROSO)AMINO]-L-ALANINE;
L-ALANOSINE
ChEMBL: CHEMBL452715
DrugBank: DB05540
ZINC: ZINC000004214744

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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