Dataset

CHOLESTEROL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003789 contains the MS mass spectrum of CHOLESTEROL with the InChIkey HVYWMOMLDIMFJA-DPAQBDIFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES C(C2([H])3)([H])(C(C)(C4)C(CC(C4)([H])O)=CC3)CCC(C2([H])1)(C)C([H])(CC1)C(CCCC(C)C)([H])C
InChI Key HVYWMOMLDIMFJA-DPAQBDIFSA-N
Molecular Formula C27H46O
Exact Mass 386.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003789
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:18.244373
MetadataModified 2025-02-09T12:12:12.519345
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16113 Rhea
HMDB0000067 Human Metabolome Database
CB7383339 ChemicalBook
cholesterol DailyMed
ZINC000003875383 ZINC
MTBLC16113 Metabolights
189 Brenda
108772 Brenda
10614 Brenda
DB04540 DrugBank
SCHEMBL2156 SureChEMBL
MCULE-6413140986 Mcule
5997 PubChem
60018435 NMRShiftDB
PD011961 ProbesDrugs
cholesterol Atlas
97C5T2UQ7J FDA SRS
14927473 PubChem: Thomson Pharma
209124-38-9 ACToR
22243-67-0 ACToR
cholesterol Selleck
15054036 PubChem: Thomson Pharma
chsterol Recon
482145 eMolecules
29536225 eMolecules
29535203 eMolecules
CHOLESTEROL clinicaltrials
HY-N0322 MedChemExpress
20192 BindingDB
CHOLESTEROL DailyMed
DTXSID3022401 EPA CompTox Dashboard
LMST01010001 LipidMaps
CHOEST CCDC
CHOLESTEROL rxnorm
229270 Brenda
229269 Brenda
J2.804E Nikkaji
2718 Guide to Pharmacology
224798 Brenda
16113 ChEBI
C00187 KEGG Ligand
CLR PDBe
CHEMBL112570 ChEMBL
The data in this table is sourced from UniChem at EBI.