Dataset

Lovastatin

This MassBank record with Accession MSBNK-Athens_Univ-AU221211 contains the MS2 mass spectrum of Lovastatin with the InChIkey PCZOHLXUXFIOCF-BXMDZJJMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChI Key PCZOHLXUXFIOCF-BXMDZJJMSA-N
Molecular Formula C24H36O5
Exact Mass 404.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU221211
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:00.177247
MetadataModified 2024-01-11T09:48:00.329705
MetadataPublished 2016-02-26
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL503 ChEMBL
12012664 PubChem: Drugs of the Future
C07074 KEGG Ligand
803 PDBe
SAM002589963 NIH Clinical Collection
SCHEMBL3136 SureChEMBL
2739 Guide to Pharmacology
J22.276C Nikkaji
CEKBEZ CCDC
34168 BindingDB
LOVASTATIN DailyMed
MEVACOR rxnorm
ALTOPREV rxnorm
LOVASTATIN rxnorm
40303 Rhea
MK-803 clinicaltrials
LOVASTATIN clinicaltrials
MEVACOR clinicaltrials
ALTOPREV clinicaltrials
HY-N0504 MedChemExpress
MCULE-7087866108 Mcule
DTXSID5020784 EPA CompTox Dashboard
1612 DrugCentral
ZINC000003812841 ZINC
60027498 NMRShiftDB
PD003114 ProbesDrugs
9LHU78OQFD FDA SRS
LSM-2189 LINCS
75330-75-5 ACToR
71949-96-7 ACToR
14879393 PubChem: Thomson Pharma
lovastatin-mevacor Selleck
14806053 PubChem: Thomson Pharma
53232 PubChem
MTBLC40303 Metabolights
17608 Brenda
HMDB0014372 Human Metabolome Database
111182 Brenda
lovastatin DailyMed
DB00227 DrugBank
PA450272 PharmGKB
591670 eMolecules
30154567 eMolecules
MCULE-4740518260 Mcule
40303 ChEBI
The data in this table is sourced from UniChem at EBI.