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S-ADENOSYLHOMOCYSTEINE

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101338_9EE2

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101338_9EE2 contains the MS2 mass spectrum of S-ADENOSYLHOMOCYSTEINE with the InChIkey ZJUKTBDSGOFHSH-WFMPWKQPSA-N.

Source: S-ADENOSYLHOMOCYSTEINE

Chemical Info

molecular Image

InChI	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
SMILES	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
InChI Key	ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Molecular Formula	C14H20N6O5S
Exact Mass	384.122 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	Attribution 4.0 International (CC BY 4.0)
Id	30d9fbb6-e719-4094-9efb-b9d87723a840
Package id	msbnk-antwerp_univ-metox_p101338_9ee2
Resource type	HTML
State	active