BioLiP

PDB

BioLiP

PDB CCD ID:

A1IKP

Number of entries in BioLiP:

Chemical formula:

C3 H10 N O12 P3

InChI:

InChI=1S/C3H10NO12P3/c4-2(3(5)6)1-14-18(10,11)16-19(12,13)15-17(7,8)9/h2H,1,4H2,(H,5,6)(H,10,11)(H,12,13)(H2,7,8,9)/t2-/m0/s1

InChIKey:

RRJFBQNVBINENS-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
CACTVS 3.385	N[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C(O)=O

Name:

TRIPHOSPHOSERINE;
(7R,13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline;
tetrahydropalmatine

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).