S-Adenosylhomocysteine

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Systematic / IUPAC Name: 2-Amino-4-{[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl}butanoicacid

ID: Reference592

Other Names: S-Adenosyl-L-homocysteine;
Adenosylhomocysteine;
Adenosyl-L-homocysteine;
S-Adenosyl-homocysteine;
L-S-Adenosylhomocysteine

Formula: C14H20N6O5S

Class: Endogenous Metabolites

Spectral Data

S-Adenosylhomocysteine 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 Elite
No. of Spectral Trees 2
No. of Spectra 279
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 6:38:00 AM
View Mass Spec Data > >

Identificators

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
InChI Key ZJUKTBDSGOFHSH-WFMPWKQPSA-N
Canonical SMILES O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CAS 979920
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Other Names S-Adenosyl-L-homocysteine;
Adenosylhomocysteine;
Adenosyl-L-homocysteine;
S-Adenosyl-homocysteine;
L-S-Adenosylhomocysteine;
S-[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl]-L-homocysteine

In Other Databases

HMDb HMDB00939
ChemIDPlus 075899148
KEGG C00021
ChEMBL CHEMBL418052
ChemSpider 388301
PubChem 439155
Wikipedia S-Adenosyl-L-homocysteine
ChEBI CHEBI:16680; CHEBI:57856