Dataset

Erythromycin; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002285 contains the MS mass spectrum of Erythromycin with the InChIkey ULGZDMOVFRHVEP-RWJQBGPGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILES CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI Key ULGZDMOVFRHVEP-RWJQBGPGSA-N
Molecular Formula C37H67NO13
Exact Mass 733.461 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-Waters-WA002285
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ERYTHROMYCIN DailyMed
    50344942 BindingDB
    ERYGEL rxnorm
    ERYTHROCIN STEARATE rxnorm
    ERYTHROMYCIN LACTOBIONATE rxnorm
    ERYTHROMYCIN GLUCEPTATE rxnorm
    ERYTHROMYCIN STEARATE rxnorm
    EMGEL rxnorm
    ERYTHROCIN rxnorm
    ERYTHROMYCIN rxnorm
    ERY-TAB rxnorm
    ROBIMYCIN clinicaltrials
    ILOTYCIN clinicaltrials
    AKNE-MYCIN clinicaltrials
    EMGEL clinicaltrials
    STATICIN clinicaltrials
    E-BASE clinicaltrials
    E-MYCIN clinicaltrials
    E-SOLVE 2 clinicaltrials
    ERYTHROMYCIN LACTOBIONATE clinicaltrials
    ERYTHROMYCIN STEARATE clinicaltrials
    ERYTHRA-DERM clinicaltrials
    ERYTHROCIN clinicaltrials
    ERYTHROCIN STEARATE clinicaltrials
    ERYTHROMYCIN clinicaltrials
    ERYTHROMYCIN GLUCEPTATE clinicaltrials
    ERYTHROMYCIN GLUCOHEPTONATE clinicaltrials
    T-STAT clinicaltrials
    ERY-TAB clinicaltrials
    ERYCETTE clinicaltrials
    ERYDERM clinicaltrials
    ERYGEL clinicaltrials
    ERYMAX clinicaltrials
    HY-B0220 MedChemExpress
    229423 Brenda
    229424 Brenda
    DTXSID4022991 EPA CompTox Dashboard
    LMPK04000006 LipidMaps
    1048 DrugCentral
    1456 Guide to Pharmacology
    J2.892D Nikkaji
    QIFKEX CCDC
    PCE rxnorm
    12012581 PubChem: Drugs of the Future
    DB00199 DrugBank
    CHEMBL532 ChEMBL
    C01912 KEGG Ligand
    ERY PDBe
    erythromycin DailyMed
    HMDB0014344 Human Metabolome Database
    41741 Brenda
    106013 Brenda
    5148 Brenda
    106012 Brenda
    MTBLC42355 Metabolights
    ZINC000085534336 ZINC
    PA449493 PharmGKB
    42355 ChEBI
    SCHEMBL2601 SureChEMBL
    MCULE-4566208867 Mcule
    12560 PubChem
    60058694 NMRShiftDB
    PD002345 ProbesDrugs
    63937KV33D FDA SRS
    14864494 PubChem: Thomson Pharma
    114-07-8 ACToR
    82343-12-2 ACToR
    14840178 PubChem: Thomson Pharma
    LSM-3416 LINCS
    2725491 eMolecules
    2725679 eMolecules
    29917758 eMolecules
    6842882 eMolecules
    The data in this table is sourced from UniChem at EBI.