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BioLiP Library

PDB CCD ID: AS9
Number of entries in BioLiP: 10
Chemical formula: C5 H10 N O6 P
InChI: InChI=1S/C5H10NO6P/c1-13(11,12)6-3(5(9)10)2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)(H2,6,11,12)/t3-/m0/s1
InChIKey: GKKRPYJQMIDFSC-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[P](O)(=O)N[CH](CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NP(=O)(O)C)CC(=O)O
CACTVS 3.341C[P@](O)(=O)N[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CP(=O)(NC(CC(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O
Name:N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID;
N-PHOSPHONOMETHYL-L-ASPARTIC ACID;
(2S)-2-(HYDROPEROXY(METHOXY)PHOSPHORYLAMINO)SUCCINIC ACID
ZINC: ZINC000058631951
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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