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BioLiP

PDB CCD ID: L5P
Number of entries in BioLiP: 0
Chemical formula: C11 H23 N2 O9 P
InChI: InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
InChIKey: FCAUVIWDSGPTCC-SFGNSQDASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CCCCNCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 12.01NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
OpenEye OEToolkits 1.7.6C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O
Name:(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
ZINC: ZINC000263620404
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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