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BioLiP

PDB CCD ID: PH4
Number of entries in BioLiP: 2
Chemical formula: C5 H13 N O10 P2
InChI: InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
InChIKey: IISKWLQYGVRJHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O
CACTVS 3.341ON(CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O
Name:3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
ChEMBL: CHEMBL1235276
ZINC: ZINC000058638417
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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