| SpectraBase Spectrum ID |
86M53XVELrA |
| Name |
Dehydrolithocholic acid (DHLCA) |
| ChEBI ID |
17639 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.282095081 u |
| Formula |
C24H38O3 |
| InChI |
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 |
| InChIKey |
KIQFUORWRVZTHT-OPTMKGCMSA-N |
| Ion Polarity |
N |
| 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]- |
| SMILES |
OC(CC[C@]([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@@]2(CC(CC[C@]12C)=O)[H])[H])[H])C)[H])[H])(C)[H])=O |
| Sample Comments |
LM ID: LMST04010127 |
| Synonyms |
3-Oxo-5beta-cholan-24-oic Acid
3-keto LCA
3-keto Lithocholate
3-keto Lithocholic Acid
3-KLCA
3-oxo LCA
3-oxo Lithocholate
3-oxo Lithocholic Acid
DHLCA |
