Dataset

CHOLESTEROL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002693 contains the MS mass spectrum of CHOLESTEROL with the InChIkey HVYWMOMLDIMFJA-DPAQBDIFSA-N.

Chemical Information

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-JP002693
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MetadataPublished 2016-01-19
Related Molecule
  • (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 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.