PANTOTHENIC ACID

Search structure
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 19F5HK2737

Structure
InChI Key GHOKWGTUZJEAQD-ZETCQYMHSA-N
Smile 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

Physicochemical Descriptors

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials

Cross References

Resources Reference
ChEBI 46905
ChEMBL CHEMBL1594
DrugBank DB01783
DrugCentral 2055
EPA CompTox DTXSID9023417
FDA SRS 19F5HK2737
Human Metabolome Database HMDB0000210
Guide to Pharmacology 4668
KEGG C00864
PDB PAU
PubChem 6613
SureChEMBL SCHEMBL5436
ZINC ZINC000005356910
CONTENTS