-
```
aw_query('12071-83-9', type = 'cas')
Querying propineb.html
Error in if (grepl("isomer", inchikey)) { : argument is of length zero
```
-
e.g.
```
isinchikey=function(s) {
(s==toupper(s))&(nchar(s) == 27)&(substr(s,15,15)=="-")&(substr(s,26,26)=="-")
}
```
to check input for `cts`.
-
In the chebi.obo, there are entries (e.g., CHEBI:16761 ADP) that have:
synonym: "XTWYTFMLZFPYCI-KQYNXXCUSA-N" RELATED InChIKey [ChEBI:]
and other records (e.g., CHEBI:87728) that have:
synonym: "InChI…
-
Dear ChEBI curator,
Could you please merge CHEBI:74546 and CHEBI:82922 ? These structures have the same InChIKey.
Thank you very much for your help,
Nevila Hyka-Nouspikel
Reported by: nnouspikel
-
I note that while this page below convverts well in chemicalize.org there are no InChIKeys
http://openwetware.org/wiki/OpenSourceMalaria:Triazolopyrazine_%28TP%29_Series#Strings_for_Google
As you …
-
Currently:
```
> alanwood("S-Metolachlor", type = "commonname")$inchikey
# More then one link found! Returning first.
#
# Querying s-metolachlor.html
# [1] "major component (S)-isomer:WVQBLGZPHOPPF…
-
Hi,
cobalamin. I suspect this entry should not be linked to a structure since there are links to cob(I)alamin, cob(II)alamin and cob(III)alamin. The current structure is identical to that of chebi:60…
-
It would be nice to have links to Wikidata too. That is, a field for compounds for the Wikidata Q-number. Some examples:
1-aminopropane -> Q417852
toluene -> Q15779
Context: http://dx.doi.org/10.389…
egonw updated
8 years ago
-
Dear ChEBI curator,
Could you please merge CHEBI:85233 with CHEBI:85238 and keep CHEBI:85238 as primary entry/structure ?
Also, I noticed that CHEBI:34159 maps to LMFA03010021 which has a different …
-
On http://ops.rsc.org/ the interface suggests that the user can search for names of the molecule, as well as for SMILES and InChIs in the simple search. However, the given examples (and any other I tr…