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BioLiP

PDB CCD ID: G5G
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6-/m0/s1
InChIKey: ASHXMQKUZGLXMR-NJGYIYPDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@](O)(CO)C[C@H](N)C(O)=O
CACTVS 3.385C[C](O)(CO)C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6CC(CC(C(=O)O)N)(CO)O
OpenEye OEToolkits 2.0.6C[C@](C[C@@H](C(=O)O)N)(CO)O
ACDLabs 12.01C(CC(N)C(O)=O)(CO)(C)O
Name:(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
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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