EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K343GZ6PUY
EPA CompTox	DTXSID70143478

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K343GZ6PUY

EPA CompTox

DTXSID70143478


InChI Key	OBQMLSFOUZUIOB-SHUUEZRQSA-N
Smiles	NCC(=O)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1

InChI Key

OBQMLSFOUZUIOB-SHUUEZRQSA-N

Smiles

NCC(=O)N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1

Property Name	Value
Molecular Formula	C7H15N2O8P
Molecular Weight	286.06
AlogP	-2.54
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	175.06
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C7H15N2O8P

Molecular Weight

286.06

AlogP

-2.54

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

175.06

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	10074-18-7
NORMAN SUSDAT
FDA SRS	K343GZ6PUY
PubChem	160913

Resources

Reference

CAS NUMBER

10074-18-7

NORMAN SUSDAT

FDA SRS

K343GZ6PUY

PubChem

160913

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

GLYCINEAMIDE RIBONUCLEOTIDE

Structure

Physicochemical Descriptors

Cross References