Compound Names, Synonyms, Sequences and CAS Identifiers

To match a compound across a paper, a specification and a vial, compare the sequence or structure, modifications and supplied form. A synonym can point you to the right record. A CAS Registry Number identifies a registered substance. Neither establishes which material is in a particular lot.

Build the identity record

FieldCheck
Canonical nameWhich defined entity is intended?
SynonymsDoes each alias refer to that same entity?
Sequence or structureAre order, stereochemistry and terminal groups specified?
ModificationIs a linker, acetyl group, complex or other change present?
FormWhich salt, hydration or oxidation state is supplied?
Registry identifierDoes its scope match that exact form?
Lot evidenceWhat measurement connects this container to the specification?

A one-letter sequence records residue order. In IUPAC notation the N-terminal end is written on the left. Record terminal chemistry, stereochemistry and other modifications explicitly when the match depends on them. The CAS Registry explanation describes the separate role of a substance identifier. [1]

Three catalogue ambiguities worth resolving

For TB-500, Esposito and colleagues identified the N-terminally acetylated fragment Ac-LKKTETQ in the particular preparation they analysed. If another specification gives only “TB-500”, request its sequence and terminal modification before treating the preparations as a match. [2]

For CJC-1295, Jetté and colleagues investigated a defined albumin-reactive construct. On a supplier record, a CJC name with the modification field blank leaves the variant open. The chemistry in that paper cannot fill in the blank for a different product. [3]

The Knockout Labs catalogue includes MT-1 and MT-2 as separate listings. Copy the supplied name and nominal amount into an enquiry, then ask for the exact structure and specification. Assigning a sequence or CAS number from a similar abbreviation could identify a different material.

Resolve a conflict without choosing the convenient field

If a certificate names one entity and its sequence describes another, retain both entries, the report version and the lot code. Ask the issuer which entry is correct and request a revised or explanatory record. Keep the original available so that a later reader can follow the correction.

The mass spectrometry guide explains how to read a reported mass. Use the compound index to locate the appropriate profile and batch documentation to request the evidence linking that entity to the actual lot.

Resolve that identity before using a reference value in a mass-to-molar concentration calculation.

Explore the related evidence

ResourceWhy open it
Product Specification and Identity StandardsCheck which tests, criteria and quantity basis a specification defines.
CJC-1295 With DAC and Without DACResolve the with-DAC and without-DAC naming distinction.
Guides & ResourcesChoose another scientific, analytical or procurement guide.

Sources and scope

  1. IUPAC–IUB: One-letter sequence notation, 3AA-20 to 3AA-21 Sections 3AA-20 and 3AA-21 cover one-letter notation, direction and its limitations.
  2. Esposito et al. (2012). TB-500 fragment characterisation. Drug Testing and Analysis. Chemical identification of an acetylated thymosin beta-4 fragment in the specific sample studied.
  3. Jetté et al. (2005). Albumin-linked GRF analogues in rats. Endocrinology. Albumin-reactive growth hormone-releasing factor constructs studied with defined modifications.