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BioLiP

PDB CCD ID: SJ3
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O3
InChI: InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey: FMHKPLXYWVCLME-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)CCC(O)=O
CACTVS 3.385C[C@@H](O)CCC(O)=O
OpenEye OEToolkits 2.0.7C[C@H](CCC(=O)O)O
OpenEye OEToolkits 2.0.7CC(CCC(=O)O)O
ACDLabs 12.01O=C(O)CCC(C)O
Name:(4R)-4-hydroxypentanoic acid
ZINC: ZINC000006036206
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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