| SpectraBase Spectrum ID |
A8cGGAXqkeI |
| Name |
Glycohyocholic acid (GHCA)-H |
| ChEBI ID |
133176 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.309038103 u |
| Formula |
C26H43NO6 |
| InChI |
InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1 |
| InChIKey |
ZQYUKJFJPJDMMR-ZDWCHQGWSA-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 |
N(C(CC[C@]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@]4(CC[C@](C[C@]4([C@]([C@]3(O)[H])(O)[H])[H])(O)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])(C)[H])=O)CC(=O)O |
| Sample Comments |
LM ID: LMST05030021 |
| Synonyms |
N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)-glycine
GHCA |
