EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1Q5MP1Z8HW
EPA CompTox	DTXSID1046261

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1Q5MP1Z8HW

EPA CompTox

DTXSID1046261


InChI Key	JRIOKBXQMHEJOZ-QTBDOELSSA-N
Smiles	O=CC(O)C(O)C(O)C(O)C(=O)N
InChI	InChI=1/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)

InChI Key

JRIOKBXQMHEJOZ-QTBDOELSSA-N

Smiles

O=CC(O)C(O)C(O)C(O)C(=O)N

InChI

InChI=1/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)

Property Name	Value
Molecular Formula	C6H11NO6
Molecular Weight	193.06
AlogP	-2.84
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	142.07
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H11NO6

Molecular Weight

193.06

AlogP

-2.84

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

142.07

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	61914-43-0
NORMAN SUSDAT
FDA SRS	1Q5MP1Z8HW
PubChem	94281

Resources

Reference

CAS NUMBER

61914-43-0

NORMAN SUSDAT

FDA SRS

1Q5MP1Z8HW

PubChem

94281

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

GLUCURONAMIDE

Structure

Physicochemical Descriptors

Cross References