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BioLiP

PDB CCD ID: BHX
Number of entries in BioLiP: 1
Chemical formula: C9 H15 O8 P
InChI: InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t6-/m1/s1
InChIKey: GZNKYXXCKRYSFH-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)C(CP(=O)(CCC(=O)O)O)C(=O)O
OpenEye OEToolkits 1.5.0C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O
ACDLabs 10.04O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O
CACTVS 3.341OC(=O)CC[CH](C[P](O)(=O)CCC(O)=O)C(O)=O
CACTVS 3.341OC(=O)CC[C@H](C[P@](O)(=O)CCC(O)=O)C(O)=O
Name:(2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic 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).
  • 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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