Go to resource

Lithocholyltaurine

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105826_B8BB

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105826_B8BB contains the MS2 mass spectrum of Lithocholyltaurine with the InChIkey QBYUNVOYXHFVKC-GBURMNQMSA-N.

Source: Lithocholyltaurine

Chemical Info

molecular Image

InChI	InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
SMILES	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O
InChI Key	QBYUNVOYXHFVKC-GBURMNQMSA-N
Molecular Formula	C26H45NO5S
Exact Mass	483.302 g/mol

There are no views created for this resource yet.

Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution 4.0 International (CC BY 4.0)
Id	f6131e64-37a1-4bdd-a14e-91fdfe1b1bc5
Package id	msbnk-antwerp_univ-metox_n105826_b8bb
Resource type	HTML
State	active