Peptide identity reference

Formula, molar mass, CAS registry number and InChIKey for 39 compounds, free to download and free to reuse.

Every record is pinned to a specific PubChem compound, not resolved by name. That distinction matters more than it sounds: asked for "KPV", PubChem's name search returns 2-oxo-5-phenylpentanoic acid — a 192 g/mol molecule with no nitrogen in it — while the KPV we sell is the tripeptide Lys-Pro-Val at 342 g/mol. A pipeline that trusted the name would have published the wrong formula and cited a real database for it.

So each identifier was reviewed by hand, and each record is then checked against the molar mass the reviewer expected. A mismatch is rejected rather than published. 18 of our compounds are absent from this file for that reason: blends with no single molecular identity, products whose identity we have not confirmed with our supplier, and a few with no usable database record at all. Absent beats guessed.

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Citing this

CC0 asks for nothing, so this is here to make attribution easy rather than to require it. A dated version string matters more than the credit: the file changes as records are added, and a reader should be able to tell which one you used.

Verifira. Peptide identity reference [data set], version 2026-09-13. https://verifira.com/data/. CC0 1.0.