Dataset

Myriocin

This MassBank record with Accession MSBNK-Fiocruz-FIO00775 contains the MS2 mass spectrum of Myriocin with the InChIkey ZZIKIHCNFWXKDY-GNTQXERDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
SMILES CCCCCCC(=O)CCCCCCC=CCC(O)C(O)C(N)(CO)C(O)=O
InChI Key ZZIKIHCNFWXKDY-GNTQXERDSA-N
Molecular Formula C21H39NO6
Exact Mass 401.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00775
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:43:31.217523
MetadataModified 2024-01-11T16:43:31.374669
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50461646 BindingDB
ZINC000005782527 ZINC
LMFA01060203 LipidMaps
DTXSID9046360 EPA CompTox Dashboard
HY-N6798 MedChemExpress
VRP PDBe
CB0207522 ChemicalBook
MTBLC582124 Metabolights
582124 ChEBI
135554 Brenda
135417 Brenda
6664 Guide to Pharmacology
J19.020I Nikkaji
SCHEMBL6542261 SureChEMBL
YRM4E8R9ST FDA SRS
35891-70-4 ACToR
PD020872 ProbesDrugs
70049721 NMRShiftDB
14805891 PubChem: Thomson Pharma
14854821 PubChem: Thomson Pharma
6438394 PubChem
87550945 PubChem: Drugs of the Future
CHEMBL55076 ChEMBL
31240799 eMolecules
591568 eMolecules
The data in this table is sourced from UniChem at EBI.