Dataset

D-(+)-Pantothenic acid

This MassBank record with Accession MSBNK-Keio_Univ-KO001609 contains the MS2 mass spectrum of D-(+)-Pantothenic acid with the InChIkey GHOKWGTUZJEAQD-ZETCQYMHSA-N.

Chemical Info

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
SMILES	OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O
InChI Key	GHOKWGTUZJEAQD-ZETCQYMHSA-N
Molecular Formula	C9H17NO5
Exact Mass	219.111 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001609
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:16.748328
MetadataModified	2025-02-09T14:33:25.768994
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6613	PubChem
PD012148	ProbesDrugs
19F5HK2737	FDA SRS
79-83-4	ACToR
3563-85-7	ACToR
Pantothenic-acid(pantothenate)	Selleck
60018874	NMRShiftDB
14822639	PubChem: Thomson Pharma
31231296	eMolecules
2630	Brenda
HMDB0000210	Human Metabolome Database
pantothenic acid	DailyMed
CB7716522	ChemicalBook
ZINC000005356910	ZINC
MTBLC46905	Metabolights
3661	Brenda
12493	Brenda
1509	Brenda
46905	ChEBI
SCHEMBL5436	SureChEMBL
PANTOTHENIC ACID	rxnorm
PANTOTHENIC ACID	clinicaltrials
CALCIUM PANTOTHENATE	clinicaltrials
HY-B0430	MedChemExpress
PANTOTHENIC ACID CALCIUM SALT	clinicaltrials
DTXSID9023417	EPA CompTox Dashboard
2055	DrugCentral
4668	Guide to Pharmacology
J4.242K	Nikkaji
PANTOTHENIC ACID	DailyMed
50240040	BindingDB
CALCIUM PANTOTHENATE	rxnorm
PANTOTHENATE	rxnorm
14773516	PubChem: Thomson Pharma
CHEMBL1594	ChEMBL
C00864	KEGG Ligand
PAU	PDBe
DB01783	DrugBank
The data in this table is sourced from UniChem at EBI.