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BioLiP

PDB CCD ID: RC5
Number of entries in BioLiP: 2
Chemical formula: C14 H22 N O5 P
InChI: InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1
InChIKey: YKRNADVNYIPUET-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)=O
CACTVS 3.385CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C
OpenEye OEToolkits 1.9.2CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O
OpenEye OEToolkits 1.9.2CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O
Name:[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
ZINC: ZINC000230570823
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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