| SpectraBase Spectrum ID |
9oSqlvkED0D |
| Name |
Glycohyodeoxycholic acid (GHDCA)-H |
| ChEBI ID |
166732 |
| Classification |
Sterol Lipids [ST] |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.314123484 u |
| Formula |
C26H43NO5 |
| InChI |
InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1 |
| InChIKey |
SPOIYSFQOFYOFZ-BRDORRHWSA-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@](C3)(O)[H])[H])(O)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])(C)[H])=O)CC(O)=O |
| Sample Comments |
LM ID: LMST05030023 |
| Synonyms |
N-(3alpha,6alpha-Dihydroxy-5beta-cholan-24-oyl)-glycine
GHDCA
Glycine hyodeoxycholate |
