EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UVB4JMS269

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UVB4JMS269


InChI Key	JOUIQRNQJGXQDC-ZYUZMQFOSA-O
Smiles	O=P(O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
InChI	InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1

InChI Key

JOUIQRNQJGXQDC-ZYUZMQFOSA-O

Smiles

O=P(O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O

InChI

InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1

Property Name	Value
Molecular Formula	C11H15N1O9P1
Molecular Weight	336.05
AlogP	-1.6
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	157.63
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C11H15N1O9P1

Molecular Weight

336.05

AlogP

-1.6

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

157.63

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	321-02-8
NORMAN SUSDAT
FDA SRS	UVB4JMS269
PubChem	121992
ChemSpider	108822.0

Resources

Reference

CAS NUMBER

321-02-8

NORMAN SUSDAT

FDA SRS

UVB4JMS269

PubChem

121992

ChemSpider

108822.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

NICOTINIC ACID MONONUCLEOTIDE

Structure

Physicochemical Descriptors

Cross References