EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FZN9Z367G5

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FZN9Z367G5


InChI Key	VKGZCEJTCKHMRL-MDBUBQOGSA-N
Smiles	OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n2cnc3c(N[C@@H](CC(O)=O)C(O)=O)ncnc23
InChI	InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13-/m0/s1

InChI Key

VKGZCEJTCKHMRL-MDBUBQOGSA-N

Smiles

OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n2cnc3c(N[C@@H](CC(O)=O)C(O)=O)ncnc23

InChI

InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13-/m0/s1

Property Name	Value
Molecular Formula	C14H17N5O8
Molecular Weight	383.11
AlogP	-2.22
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	7.0
Polar Surface Area	200.15
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C14H17N5O8

Molecular Weight

383.11

AlogP

-2.22

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

7.0

Polar Surface Area

200.15

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	4542-23-8
NORMAN SUSDAT
FDA SRS	FZN9Z367G5

Resources

Reference

CAS NUMBER

4542-23-8

NORMAN SUSDAT

FDA SRS

FZN9Z367G5

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...

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Last update: Monday, 3 November 2025

SUCCINYLADENOSINE

Structure

Physicochemical Descriptors

Cross References