Glycohyodeoxycholic acid

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Systematic / IUPAC Name: 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

ID: Reference14035

Other Names: AA-2845

Formula: C26H43NO5

Class: Steroids/Vitamins/Hormones Endogenous Metabolites

Spectral Data

Glycohyodeoxycholic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 165
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/20/2026 8:31:57 AM
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Identificators

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
InChI Key SPOIYSFQOFYOFZ-BRDORRHWSA-N
Canonical SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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Other Names AA-2845

In Other Databases

PubChem 114611
ChEMBL CHEMBL271208
LipidsMAPs LMST05030023
ChemSpider 102648