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Isodesmosine

CAT: 0926-AAA99101-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA99101-01Size:5 mg
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CAS Number
991-01-5
Smiles
C1=C (C=[N+] (C (=C1CCC (C (=O) O) N) CCCC (C (=O) O) N) CCCCC (C (=O) O) N) CCC (C (=O) O) N
Molecular Formula
C24H40N5O8+
Molecular Weight
526.6 g/mol
Controlled
No

Chemical Information

Isodesmosine

Isodesmosine is a pyridinium ion obtained by formal condensation of four molecules of lysine. It has a role as a biomarker. It is a pyridinium ion and a lysine derivative.

CAS Number991-01-5
PubChem CID13811
IUPAC Name2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid
Molecular FormulaC24H40N5O8+
Molecular Weight526.6
XLogP-10.1
Topological Polar Surface Area257
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count37
Formal Charge1
Complexity755
SMILES
C1=C(C=[N+](C(=C1CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N
InChI
InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1
InChIKey
RGXCTRIQQODGIZ-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Isodesmosine
CAS: 991-01-5
CID: 13811
Formula: C24H40N5O8+
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP3-10.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass526.28768825
Monoisotopic Mass526.28768825
Topological Polar Surface Area257 Ų
Heavy Atom Count37
Formal Charge1
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
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GTR14672722Chicken Isodesmosine ELISA Kit
GTR14672582Canine Isodesmosine ELISA Kit
GTR14674142Sheep Isodesmosine ELISA Kit
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