D-Pantothenic acid

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Systematic / IUPAC Name: 3-[[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

ID: Reference13738

Other Names: AA-3834

Formula: C9H17NO5

Class: Endogenous Metabolites

Spectral Data

D-Pantothenic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1889
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2026 1:31:45 PM
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Identificators

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
InChI Key GHOKWGTUZJEAQD-ZETCQYMHSA-N
Canonical SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
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Other Names AA-3834

In Other Databases

ChemSpider 6361
PubChem 6613
HMDb HMDB0000210
KEGG C00864
ChEBI CHEBI:46905
Wikipedia Pantothenic acid
ChEMBL CHEMBL1594