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BioLiP

PDB CCD ID: EKE
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-4(8)5(7)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKey: KQVZQZMTPOUJTI-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCC(=O)O)N)O
CACTVS 3.341C[C@@H](O)[C@@H](N)CCC(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@H](CCC(=O)O)N)O
ACDLabs 10.04O=C(O)CCC(N)C(O)C
CACTVS 3.341C[CH](O)[CH](N)CCC(O)=O
Name:(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID;
EPISULFIDE METHYLGLUTAMATE
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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