SEQ2FUN

BioLiP

PDB CCD ID: PA6
Number of entries in BioLiP: 7
Chemical formula: C9 H17 O8 P
InChI: InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKey: JDTMNMAQWVSSOO-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCC(OC=O)COC(=O)CCCC)O
CACTVS 3.341CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OCC(COP(=O)(O)O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O
CACTVS 3.341CCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC=O
Name:(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE;
PHOSPHATIDIC ACID
DrugBank: DB08367
ZINC: ZINC000005972939
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).