SEQ2FUN

BioLiP

PDB CCD ID: G88
Number of entries in BioLiP: 4
Chemical formula: C6 H11 O7 P
InChI: InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1
InChIKey: ISEYJGQFXSTPMQ-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)C(CP(=O)(O)O)C(=O)O
CACTVS 3.341OC(=O)CC[CH](C[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)CC(C(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O
CACTVS 3.341OC(=O)CC[C@H](C[P](O)(O)=O)C(O)=O
Name:(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID
ChEMBL: CHEMBL189217
ZINC: ZINC000013470225
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).