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BioLiP

PDB CCD ID: DRZ
Number of entries in BioLiP: 0
Chemical formula: C5 H11 O7 P
InChI: InChI=1S/C5H11O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h2,4-5,7-8H,1,3H2,(H2,9,10,11)/t4-,5+/m0/s1
InChIKey: ALQNUOMIEBHXQG-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)CC=O
OpenEye OEToolkits 1.5.0C(C=O)C(C(COP(=O)(O)O)O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)CC=O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)CC=O
Name:3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATE
ZINC: ZINC000002522549
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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