| SpectraBase Spectrum ID |
DfJAluCGIJv |
| Name |
Cholesterol-H2O |
| ChEBI ID |
16113 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.354866100 u |
| Formula |
C27H46O |
| HMDB ID |
HMDB0000067 |
| 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 |
| InChIKey |
HVYWMOMLDIMFJA-DPAQBDIFSA-N |
| Ion Polarity |
P |
| KEGG Compound ID |
C00187 |
| Literature Reference |
Koelmel, J. P.; Kroeger, N. M.; Ulmer, C. Z.; Bowden, J. A.; Patterson, R. E.; Cochran, J. A.; Beecher, C. W. W.; Garrett, T. J.; Yost, R. A. LipidMatch: An Automated Workflow for Rule-Based Lipid Identification Using Untargeted High-Resolution Tandem Mass Spectrometry Data. BMC Bioinformatics 2017, 18 (1). |
| Literature Reference DOI |
10.1186/s12859-017-1744-3 |
| Precursor Ion |
[M+H-H2O]+ |
| SMILES |
O[C@]1(CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@](CC4)([C@](CCCC(C)C)([H])C)[H])C)[H])([H])CC=C2C1)[H])C)[H] |
| Sample Comments |
LM ID: LMST01010001 |
| Synonyms |
cholest-5-en-3beta-ol
Cholesterol
Cholest-5-en-3-ol
(3beta)-Cholest-5-en-3-ol
Cholesteryl alcohol |
