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BioLiP

PDB CCD ID: P0A
Number of entries in BioLiP: 11
Chemical formula: C7 H13 N O4
InChI: InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKey: JUQLUIFNNFIIKC-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CCC(=O)O)C[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCCCC(=O)O
OpenEye OEToolkits 1.7.2C(CCC(=O)O)CC(C(=O)O)N
CACTVS 3.370N[CH](CCCCC(O)=O)C(O)=O
CACTVS 3.370N[C@H](CCCCC(O)=O)C(O)=O
Name:(2R)-2-aminoheptanedioic acid
ZINC: ZINC000002169351
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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