Dataset

Erythromycin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81201 contains the MS mass spectrum of Erythromycin with the InChIkey ULGZDMOVFRHVEP-RWJQBGPGSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81201
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:52.510547
MetadataModified	2024-01-11T22:28:52.687949
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000085534336	ZINC
erythromycin	DailyMed
106013	Brenda
HMDB0014344	Human Metabolome Database
41741	Brenda
PA449493	PharmGKB
106012	Brenda
5148	Brenda
MTBLC42355	Metabolights
LSM-3416	LINCS
12560	PubChem
14840178	PubChem: Thomson Pharma
14864494	PubChem: Thomson Pharma
63937KV33D	FDA SRS
PD002345	ProbesDrugs
114-07-8	ACToR
60058694	NMRShiftDB
82343-12-2	ACToR
MCULE-4566208867	Mcule
42355	ChEBI
2725491	eMolecules
2725679	eMolecules
29917758	eMolecules
6842882	eMolecules
ERYTHROMYCIN	DailyMed
50344942	BindingDB
ERYGEL	rxnorm
ERYTHROMYCIN LACTOBIONATE	rxnorm
ERYTHROMYCIN GLUCEPTATE	rxnorm
EMGEL	rxnorm
ERYTHROMYCIN STEARATE	rxnorm
ERYTHROMYCIN	rxnorm
ERYTHROCIN	rxnorm
ERY-TAB	rxnorm
ERYTHROCIN STEARATE	rxnorm
ROBIMYCIN	clinicaltrials
ILOTYCIN	clinicaltrials
AKNE-MYCIN	clinicaltrials
EMGEL	clinicaltrials
STATICIN	clinicaltrials
E-BASE	clinicaltrials
E-MYCIN	clinicaltrials
E-SOLVE 2	clinicaltrials
ERYTHRA-DERM	clinicaltrials
ERYTHROCIN	clinicaltrials
ERYTHROCIN STEARATE	clinicaltrials
ERYTHROMYCIN	clinicaltrials
ERYTHROMYCIN GLUCEPTATE	clinicaltrials
ERYTHROMYCIN GLUCOHEPTONATE	clinicaltrials
ERYTHROMYCIN LACTOBIONATE	clinicaltrials
ERYTHROMYCIN STEARATE	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
SCHEMBL2601	SureChEMBL
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
The data in this table is sourced from UniChem at EBI.