Dataset

Mevastatin

This MassBank record with Accession MSBNK-AAFC-AC000858 contains the MS2 mass spectrum of Mevastatin with the InChIkey AJLFOPYRIVGYMJ-INTXDZFKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O
InChI Key AJLFOPYRIVGYMJ-INTXDZFKSA-N
Molecular Formula C23H34O5
Exact Mass 390.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000858
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:39.784455
MetadataModified 2024-01-11T09:24:39.957275
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34848 ChEBI
COMPAC CCDC
J12.081B Nikkaji
3031 Guide to Pharmacology
14780729 PubChem: Thomson Pharma
64715 PubChem
60033917 NMRShiftDB
PD002671 ProbesDrugs
14756488 PubChem: Thomson Pharma
LSM-4123 LINCS
73573-88-3 ACToR
58948-09-7 ACToR
SCHEMBL1116 SureChEMBL
1UQM1K0W9X FDA SRS
CB1388569 ChemicalBook
34848 Rhea
13629 Brenda
MTBLC34848 Metabolights
2UO PDBe
ZINC000003833876 ZINC
HY-17408 MedChemExpress
DTXSID4040684 EPA CompTox Dashboard
50011036 BindingDB
DB06693 DrugBank
CHEMBL54440 ChEMBL
SAM001246644 NIH Clinical Collection
C13963 KEGG Ligand
12015427 PubChem: Drugs of the Future
493515 eMolecules
30154569 eMolecules
The data in this table is sourced from UniChem at EBI.