| SpectraBase Spectrum ID |
HhF7jvCjmVi |
| Name |
Homocystine, 4TMS |
| Alternate Name(s) |
Homocystine, L-, 4TMS
EINECS 210-962-5, 4TMS
(S-(R*,R*))-4,4'-Dithiobis(2-aminobutyric) acid, 4TMS
Butanoic acid, 4,4'-dithiobis(2-amino-, (2S,2'S)-, 4TMS
626-72-2, 4TMS
(2S)-2-amino-4-(3-amino-4-hydroxy-4-oxobutyl)disulfanylbutanoic acid, 4TMS
S-(((S)-3-amino-3-carboxypropyl)thio)homocysteine |
| Comments |
Non-derivatized structure shown; Derivatization type: 4 TMS (mass: 556.213); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000764; Note: The molecular formula of the structure shown is C8H16N2O4S2 - which differs from the formula reported for the mass spectrum (C20H48N2O4S2Si4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H48N2O4S2Si4 |
| InChI |
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1 |
| InChIKey |
ZTVZLYBCZNMWCF-ZBHICJROSA-N |
| Molecular Weight |
268.346 g/mol |
| SMILES |
OC(C(CCSSCC[C@@](C(=O)O)(N)[H])N)=O |
| SPLASH |
splash10-004i-1910000000-f9e93d28a230da8e9833 |
| Source of Spectrum |
FM-2019-764-0 |
| Wiley ID |
1818440 |
