EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	X1B4ZJ0IIV
EPA CompTox	DTXSID80864869

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

X1B4ZJ0IIV

EPA CompTox

DTXSID80864869


InChI Key	OFBHPPMPBOJXRT-VWJPMABRSA-N
Smiles	O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O
InChI	InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1

InChI Key

OFBHPPMPBOJXRT-VWJPMABRSA-N

Smiles

O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O

InChI

InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1

Property Name	Value
Molecular Formula	C14H18N5O11P
Molecular Weight	463.07
AlogP	-2.11
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	9.0
Polar Surface Area	246.68
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C14H18N5O11P

Molecular Weight

463.07

AlogP

-2.11

Hydrogen Bond Acceptor

12.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

9.0

Polar Surface Area

246.68

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	19046-78-7
NORMAN SUSDAT
FDA SRS	X1B4ZJ0IIV
PubChem	447145

Resources

Reference

CAS NUMBER

19046-78-7

NORMAN SUSDAT

FDA SRS

X1B4ZJ0IIV

PubChem

447145

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

SUCCINYL AMP

Structure

Physicochemical Descriptors

Cross References