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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: DHH
Number of entries in BioLiP: 3
Chemical formula: C7 H15 N O4
InChI: InChI=1S/C7H15NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5-6,9-10H,1-4,8H2,(H,11,12)/t5-/m0/s1
InChIKey: KSOGSUKZGWOZJN-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCCCC(O)O
OpenEye OEToolkits 1.5.0C(CCC(O)O)CC(C(=O)O)N
CACTVS 3.341N[CH](CCCCC(O)O)C(O)=O
OpenEye OEToolkits 1.5.0C(CCC(O)O)C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCCC(O)O)C(O)=O
Name:(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACID
ZINC: ZINC000033821269

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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