EcoDrugPlus


Synonyms	Calc pantoth Cantopal Chick antidermatitis factor Pantothenate Pantothenic Acid Pantothenic acid Pantothenic acid Pantothenic acid (d) Vitamin B 5 Vitamin b-5 Vitamin b5
Status
Molecule Category	Free-form
UNII	19F5HK2737
EPA CompTox	DTXSID9023417


InChI Key	GHOKWGTUZJEAQD-ZETCQYMHSA-N
Smiles	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
InChI	InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1

Property Name	Value
Molecular Formula	C9H17NO5
Molecular Weight	219.24
AlogP	-1.04
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	106.86
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	15.0

Resources	Reference
ChEBI	46905
ChEMBL	CHEMBL1594
DrugBank	DB01783
DrugCentral	2055
FDA SRS	19F5HK2737
Human Metabolome Database	HMDB0000210
Guide to Pharmacology	4668
KEGG	C00864
PDB	PAU
PubChem	6613
SureChEMBL	SCHEMBL5436
ZINC	ZINC000005356910

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

PANTOTHENIC ACID

Structure

Physicochemical Descriptors

Related Entries

Cross References