BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

43W

Number of entries in BioLiP:

Chemical formula:

C4 H8 O7 P2

InChI:

InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)

InChIKey:

GYFWQGOZWDTPGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(O)(O)OP(=O)(OCCC#C)O
OpenEye OEToolkits 1.7.6	C#CCCOP(=O)(O)OP(=O)(O)O
CACTVS 3.385	O[P](O)(=O)O[P](O)(=O)OCCC#C

Name:

but-3-yn-1-yl trihydrogen diphosphate

ChEMBL:

CHEMBL2251810

ZINC:

ZINC000103209315

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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