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BioLiP

PDB CCD ID: VHF
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N O7 P
InChI: InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
InChIKey: PJRXVIJAERNUIP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)OP(=O)(O)O)C(C(=O)O)N
OpenEye OEToolkits 2.0.7C(CC(=O)OP(=O)(O)O)[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
Name:(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
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)(download the PDF file).
  • 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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