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BioLiP

PDB CCD ID: Q06
Number of entries in BioLiP: 1
Chemical formula: C8 H18 N O3 P
InChI: InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-5-7-3-1-2-4-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1
InChIKey: ZLDKOVICXZHRSD-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCC1CCCC1)[P](O)(O)=O
CACTVS 3.385N[C@@H](CCC1CCCC1)[P](O)(O)=O
OpenEye OEToolkits 1.9.2C1CCC(C1)CCC(N)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(N)CCC1CCCC1
OpenEye OEToolkits 1.9.2C1CCC(C1)CC[C@H](N)P(=O)(O)O
Name:[(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
ZINC: ZINC000035882179
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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