Dataset

Mevastatin

This MassBank record with Accession MSBNK-AAFC-AC000859 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-AC000859
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:54.453073
MetadataModified 2024-01-11T09:24:54.602374
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34848 ChEBI
64715 PubChem
493515 eMolecules
30154569 eMolecules
MTBLC34848 Metabolights
2UO PDBe
CB1388569 ChemicalBook
34848 Rhea
13629 Brenda
58948-09-7 ACToR
14780729 PubChem: Thomson Pharma
1UQM1K0W9X FDA SRS
PD002671 ProbesDrugs
73573-88-3 ACToR
14756488 PubChem: Thomson Pharma
SCHEMBL1116 SureChEMBL
60033917 NMRShiftDB
LSM-4123 LINCS
CHEMBL54440 ChEMBL
SAM001246644 NIH Clinical Collection
C13963 KEGG Ligand
12015427 PubChem: Drugs of the Future
HY-17408 MedChemExpress
DB06693 DrugBank
DTXSID4040684 EPA CompTox Dashboard
ZINC000003833876 ZINC
3031 Guide to Pharmacology
J12.081B Nikkaji
COMPAC CCDC
50011036 BindingDB
The data in this table is sourced from UniChem at EBI.