Dataset
Mevastatin
Chemical Info
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-AC000860 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:21:41.504610 |
MetadataModified | 2024-01-11T09:21:41.678187 |
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. |