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Product Overview

Product Code

TRC-D296847

Product Format

Neat

Molecular Formula

C24 D4 H35 N5 O8

Molecular Weight

529.6198

Product Categories

TRC, Amino acids, Modified amino acids, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

Possible: 11003-57-9

Documentation

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Product Information

Chemical Data

Analyte Name

Desmosine-D4 (4-(4-amino-4-carboxybutyl-1,1-D2)pyridinium-2,6-D2)

Molecular Formula

C24 D4 H35 N5 O8

Molecular Weight

529.6198

Accurate Mass

529.305

SMILES

[2H]c1c(CC[C@H](N)C(=O)O)c(c(CC[C@H](N)C(=O)O)c([2H])[n+]1CCCC[C@H](N)C(=O)[O-])C([2H])([2H])CC[C@H](N)C(=O)O

InChI

InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/t17-,18-,19-,20-/m0/s1/i4D2,12D,13D

IUPAC

(2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxy-1,1-dideuteriobutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-2,6-dideuteriopyridin-1-ium-1-yl]hexanoate

Unlabelled CAS Number

Possible: 11003-57-9

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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Chemical Data

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Desmosine-d4 (major) Inner Salt

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