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#16 InChI's with hydrogen for single atoms

open
nobody
None
5
2010-10-25
2010-10-25
pmatos
No

Hi,

We are developing the ChEBI database and need to model atoms.
When we generate an InChI for a Lithium atom from the following molfile we get InChI=1/Li.H. It adds an extra hydrogen?
"
Marvin 12070515392D

1 0 0 0 0 0 999 V2000
0.0000 0.0000 0.0000 Li 0 0 0 0 0 0 0 0 0 0 0 0
M END
"

However when we generate an InChI for Cobalt by replacing Li with Co in the above file we get InChI=1/Co. There is no hydrogen generated.

Can you explain the discrepancy.

Cheers,
Paula

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