Dataset

Clarithromycin

This MassBank record with Accession MSBNK-Athens_Univ-AU105310 contains the MS2 mass spectrum of Clarithromycin with the InChIkey AGOYDEPGAOXOCK-KCBOHYOISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
InChI Key AGOYDEPGAOXOCK-KCBOHYOISA-N
Molecular Formula C38H69NO13
Exact Mass 747.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105310
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:22.362759
MetadataModified 2025-02-08T18:58:20.931452
MetadataPublished 2016-02-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
clarithromycin DailyMed
ZINC000085534098 ZINC
PA449028 PharmGKB
HMDB0015342 Human Metabolome Database
CB2225614 ChemicalBook
84029 PubChem
3732 ChEBI
SCHEMBL38125 SureChEMBL
MCULE-7168853332 Mcule
PD001219 ProbesDrugs
DB01211 DrugBank
H1250JIK0A FDA SRS
LSM-5606 LINCS
14937909 PubChem: Thomson Pharma
clarithromycin Selleck
14913515 PubChem: Thomson Pharma
116836-41-0 ACToR
4775688 eMolecules
CHEMBL1741 ChEMBL
12013874 PubChem: Drugs of the Future
SAM001246748 NIH Clinical Collection
CTY PDBe
C06912 KEGG Ligand
50404044 BindingDB
NAVSUY CCDC
CLARITHROMYCIN DailyMed
229297 Brenda
229298 Brenda
BIAXIN rxnorm
CLARITHROMYCIN rxnorm
A-56268 clinicaltrials
KLACID clinicaltrials
KLARICID clinicaltrials
BIAXIN clinicaltrials
ABBOTT-56268 clinicaltrials
ZECLAR clinicaltrials
CLARITHROMYCIN clinicaltrials
HY-17508 MedChemExpress
TE-031 clinicaltrials
DTXSID3022829 EPA CompTox Dashboard
LMPK04000014 LipidMaps
668 DrugCentral
J134.033F Nikkaji
10903 Guide to Pharmacology
22099 Brenda
The data in this table is sourced from UniChem at EBI.