The Parent identification type identifies each individual fragment in a substance structural
formula and then associates the substance to a unique identification corresponding to the
fragment.
If the system associates the identification with one of the salts listed below, then the
corresponding Parent identification does not display in the app.
Identifications that do not correspond to a salt display in the Identification section of the
substance record. Each fragment that is not a salt receives a Parent identification.
The Parent identification type does not identify structural formulae containing hydrogen or
coordination bonds.
For each fragment, it neutralizes all non-metallic atoms that are not potentially part of a
charge separated bond. If neutralizing the atom results in a valence violation, the atom is
not changed. The intention of the change is to reduce the number of charged non-metallic atoms
in the fragment to zero or as close to zero as possible.
Salt |
Name |
|
propanoic acid |
|
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic
acid |
|
tetramethylazanium |
|
oxalic acid |
|
hexanedioic acid |
|
phosphorous acid |
|
phosphonic acid |
|
tetraethylazanium |
|
carbonic acid |
|
trifluoromethanesulfonic acid |
|
2,3-dihydroxybutanedioic acid |
|
cyclopenta-1,3-diene |
|
benzenesulfonic acid |
|
1-hydroxypropane-1,2,3-tricarboxylic acid |
|
2-hydroxypropane-1,2,3-tricarboxylic acid |
|
dihydroxy(dioxo)manganese |
|
permanganic acid |
|
2-hydroxybutanedioic acid |
|
acetic acid |
|
methanesulfonic acid |
|
hexafluorophosphate |
|
2-aminobutanedioic acid |
|
perchloric acid |
|
sulfuric acid |
|
lithium(1+) |
|
beryllium(2+) |
|
azane |
|
oxidane |
|
fluorane |
|
sodium(1+) |
|
magnesium(2+) |
|
aluminium(3+) |
|
chlorane |
|
potassium(1+) |
|
calcium(2+) |
|
iron(2+) |
|
iron(3+) |
|
bromane |
|
silver(1+) |
|
iodane |
|
barium(2+) |
|
butanedioic acid |
|
but-2-enedioic acid |
|
sulfurous acid |
|
hydroxy(dioxo)-lambda6-sulfane |
|
2-hydroxypropanoic acid |
|
2-oxopropanoic acid |
|
tetrabutylazanium |
|
hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium |
|
2-aminopentanedioic acid |
|
2,2,2-trifluoroacetic acid |
|
phosphoric acid |
|
tetrafluoroborate |
|
formic acid |
|
nitrate |
|
ethanesulfonic acid |
|
benzoic acid |
|
2-hydroxybenzoic acid |
|
nitrous acid |
|
butanoic acid |