Desmosine-d4 (major) Inner Salt

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat