Table 1.
Code | Name | InChI Key | Code | Name | InChI Key |
---|---|---|---|---|---|
1 | 2,3-Diaminosuccinic acid | PGNYNCTUBKSHHL-UHFFFAOYSA-N | 15 | 2,4-Dihydroxyglutamic acid | FTWPXBYNGOWCHI-UHFFFAOYSA-N |
2 | 2,4-Diaminoglutaric acid | LOPLXECQBMXEBQ-UHFFFAOYSA-N | 16 | Malic acid | BJEPYKJPYRNKOW-UHFFFAOYSA-N |
3 | 4-Amino-3-hydroxyglutamic acid | ROZOJQWPTMSEJM-NUWTVHIESA-N | 17 | Oxalic acid | MUBZPKHOEPUJKR-UHFFFAOYSA-N |
4 | Aspartic acid | CKLJMWTZIZZHCS-UHFFFAOYSA-N | 18 | Malonic acid | OFOBLEOULBTSOW-UHFFFAOYSA-N |
5 | 3-Hydroxyaspartic acid | YYLQUHNPNCGKJQ-UHFFFAOYSA-N | 19 | Citric acid | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
6 | 3-Aminoglutamic acid | BBJIPMIXTXKYLZ-UHFFFAOYSA-N | 20 | Succinic acid | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
7 | Glutamic acid | WHUUTDBJXJRKMK-UHFFFAOYSA-N | 21 | Tartaric acid | FEWJPZIEWOKRBE-UHFFFAOYSA-N |
8 | 2-Amino-3-hydroxyglutamic acid | LKZIEAUIOCGXBY-UHFFFAOYSA-N | A | Proline | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
9 | Aminomalonic acid | JINBYESILADKFW-UHFFFAOYSA-N | B | Cycloleucine | NILQLFBWTXNUOE-UHFFFAOYSA-N |
10 | 2-Amino-4-hydroxyglutamic acid | HBDWQSHEVMSFGY-STHAYSLISA-N | C | 4-Hydroxyproline | PMMYEEVYMWASQN-UHFFFAOYSA-N |
11 | 2-Hydroxyglutamic acid | HWXBTNAVRSUOJR-VKHMYHEASA-N | D | Ornithine | AHLPHDHHMVZTML-BYPYZUCNSA-N |
12 | Hydroxymalonic acid | ROBFUDYVXSDBQM-UHFFFAOYSA-N | E | Arginine | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
13 | 3-Hydroxyglutamic acid | ZQHYXNSQOIDNTL-UHFFFAOYSA-N | F | Citrulline | RHGKLRLOHDJJDR-BYPYZUCNSA-N |
14 | Glutaric acid | JFCQEDHGNNZCLN-UHFFFAOYSA-N |
This includes compounds that were used to validate the theoretical model, as well as compounds selected because they were thought to have the potential to solvate rutin well