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BioLiP

PDB CCD ID: 2NP
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N O4
InChI: InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey: SGAIRWMSXVAPOO-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(CCCC(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.5.0C=C(CCC[C@@H](C(=O)O)N)C(=O)O
CACTVS 3.341N[CH](CCCC(=C)C(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CCCC(=C)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)/C(=C)CCCC(N)C(=O)O
Name:L-2-AMINO-6-METHYLENE-PIMELIC ACID
DrugBank: DB02892
ZINC: ZINC000002046788
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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