| SpectraBase Spectrum ID |
HUwVjBfMNFA |
| Name |
S-Adenosyl-L-homocysteine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
979-92-0
75899-14-8 |
| ChEBI ID |
16680 |
| Comments |
Saturated 1 S-Adenosyl-L-homocysteine - Sigma; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley |
| Formula |
C14 H20 N6 O5 S |
| IUPAC Name |
(2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid; (2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]butanoic acid; (2S)-2-amino-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| 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 |
| InChIKey |
ZJUKTBDSGOFHSH-WFMPWKQPSA-N |
| KEGG Compound ID |
C00021 |
| KEGG Pathways |
PATH: map00271 Methionine metabolism |
| PubChem Compound ID |
439155 |
| SMILES |
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCC(C(=O)O)N)O)O |
| Source File Reference |
bmse000289 |
