Dataset

Enalapril

This MassBank record with Accession MSBNK-Waters-WA001940 contains the MS mass spectrum of Enalapril with the InChIkey GBXSMTUPTTWBMN-XIRDDKMYSA-N.

InChI	InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
SMILES	CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C1)C(CC1)C(O)=O
InChI Key	GBXSMTUPTTWBMN-XIRDDKMYSA-N
Molecular Formula	C20H28N2O5
Exact Mass	376.200 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001940
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:57.282664
MetadataModified	2024-01-11T22:48:57.441696
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5388962	PubChem
14779899	PubChem: Thomson Pharma
PD009906	ProbesDrugs
enalapril	Atlas
DB00584	DrugBank
14877707	PubChem: Thomson Pharma
LSM-3282	LINCS
SCHEMBL18	SureChEMBL
75847-73-3	ACToR
69PN84IO1A	FDA SRS
4784	ChEBI
6322	Guide to Pharmacology
J240.110J	Nikkaji
40466924	PubChem
DTXSID5022982	EPA CompTox Dashboard
EPANED	clinicaltrials
ZINC000003791297	ZINC
50017129	BindingDB
ENALAPRIL	DailyMed
ENALAPRIL	rxnorm
ENALAPRIL MALEATE	rxnorm
VASERETIC	rxnorm
EPANED	rxnorm
C09AA02	clinicaltrials
MK-421	clinicaltrials
INNOVACE	clinicaltrials
XANEF	clinicaltrials
VASOTEC	clinicaltrials
NAPRILENE	clinicaltrials
HY-B0331	MedChemExpress
RENITEC	clinicaltrials
RENIVACE	clinicaltrials
ENACARD	clinicaltrials
ENALAPRIL	clinicaltrials
ENALAPRIL MALEATE	clinicaltrials
1005	DrugCentral
10999	Brenda
132375	Brenda
HMDB0014722	Human Metabolome Database
enalapril	DailyMed
C06977	KEGG Ligand
CHEMBL578	ChEMBL
The data in this table is sourced from UniChem at EBI.