EcoDrugPlus


Synonyms	Triphosphate
Status
Molecule Category	UNKNOWN
UNII	NU43IAG5BC
EPA CompTox	DTXSID7047483

Synonyms

Triphosphate

Status

Molecule Category

UNKNOWN

UNII

NU43IAG5BC

EPA CompTox

DTXSID7047483


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	UNXRWKVEANCORM-UHFFFAOYSA-N
Smiles	O=P(O)(O)OP(=O)(O)OP(=O)(O)O
InChI	InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)

InChI Key

UNXRWKVEANCORM-UHFFFAOYSA-N

Smiles

O=P(O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)

Property Name	Value
Molecular Formula	H5O10P3
Molecular Weight	257.95
AlogP	-0.69
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	170.82
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

H5O10P3

Molecular Weight

257.95

AlogP

-0.69

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

170.82

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	39949
ChEMBL	CHEMBL1230191
DrugBank	DB03896
FDA SRS	NU43IAG5BC
Human Metabolome Database	HMDB0003379
KEGG	C00536
PDB	3PO
SureChEMBL	SCHEMBL18714
ZINC	ZINC000006827739

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PDB

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

TRIPHOSPHATE

Structure

Physicochemical Descriptors

Cross References