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BioLiP

PDB CCD ID: 3O3
Number of entries in BioLiP: 2
Chemical formula: C9 H16 N2 O6
InChI: InChI=1S/C9H16N2O6/c10-5(8(14)15)3-4-11-6(9(16)17)1-2-7(12)13/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
InChIKey: VTEXNADNTYNYRI-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](CCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(NCCC(N)C(=O)O)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)NCCC(C(=O)O)N
CACTVS 3.370N[CH](CCN[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N
Name:N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid
ZINC: ZINC000066166244
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).
  • 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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