Taurocholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N109426_9C9C
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N109426_9C9C contains the MS2 mass spectrum of Taurocholic acid with the InChIkey WBWWGRHZICKQGZ-HZAMXZRMSA-N.
Source: Taurocholic acid
Chemical Info
| InChI | InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChI Key | WBWWGRHZICKQGZ-HZAMXZRMSA-N |
| Molecular Formula | C26H45NO7S |
| Exact Mass | 515.292 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | c55ba542-a528-4658-ada4-4cfe3f28378f |
| Package id | msbnk-antwerp_univ-metox_n109426_9c9c |
| Resource type | HTML |
| State | active |