EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	46ABA554FY
EPA CompTox	DTXSID40862427

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

46ABA554FY

EPA CompTox

DTXSID40862427


InChI Key	OSJPPGNTCRNQQC-UHFFFAOYSA-N
Smiles	C(C(C(=O)O)O)OP(=O)(O)O
InChI	InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)

InChI Key

OSJPPGNTCRNQQC-UHFFFAOYSA-N

Smiles

C(C(C(=O)O)O)OP(=O)(O)O

InChI

InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)

Property Name	Value
Molecular Formula	C3H7O7P1
Molecular Weight	185.99
AlogP	-1.46
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	124.29
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C3H7O7P1

Molecular Weight

185.99

AlogP

-1.46

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

124.29

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	3443-58-1
NORMAN SUSDAT
FDA SRS	46ABA554FY
PubChem	724
ChemSpider	58.0

Resources

Reference

CAS NUMBER

3443-58-1

NORMAN SUSDAT

FDA SRS

46ABA554FY

PubChem

724

ChemSpider

58.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

3-PHOSPHOGLYCERIC ACID

Structure

Physicochemical Descriptors

Cross References