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Amino acids and derivatives

Isodesmosine

Also known as 3,5-bis(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium, Pyridinium, 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-, Iso-desmosin

CAS 991-01-5Formula C24H40N5O8+Molar mass 526.61 g/mol
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Isodesmosine chemical structure, C24H40N5O8+, CAS 991-01-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
991-01-5
Formula
C24H40N5O8+
Molar mass
526.61 g/mol
HS code
293339
Category
Amino acids and derivatives

What is Isodesmosine?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid
CAS number
991-01-5
Molecular formula
C24H40N5O8+
InChIKey
RGXCTRIQQODGIZ-UHFFFAOYSA-O
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
SMILES (canonical and isomeric)
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

Synonyms

  • 3,5-bis(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium
  • Pyridinium, 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-
  • Iso-desmosin
  • Isodesmosine (from bovine neck ligament)
  • 2-amino-6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid
  • 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-2-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoic acid
  • 6-[2-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium-1-yl]norleucine
  • 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-Pyridinium
  • 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
526.61 g/molcalc.
Exact mass
526.2871 Dacalc.
LogP (octanol/water)
-1.02calc.
Topological polar surface area
257.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
19calc.
Heavy atoms
37calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
1calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccncc1

c1ccncc1

1 ring, 6 atoms, the Pyridine ring system.

118,162 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Isodesmosine suppliers

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Isodesmosine price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • biomarker
  • indicator

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isodesmosine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isodesmosine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isodesmosine, based on the data on this page

What is 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.

What is the CAS number of Isodesmosine?

The CAS registry number of Isodesmosine is 991-01-5.

What is the molecular formula and weight of Isodesmosine?

The molecular formula of Isodesmosine is C24H40N5O8+ and its molar mass is 526.61 g/mol.

What is Isodesmosine used for?

Known uses and roles of Isodesmosine include biomarker and indicator.

Is Isodesmosine hazardous?

No GHS hazard classification for Isodesmosine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Isodesmosine?

Isodesmosine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isodesmosine?

Post a free request on CompoundList and suppliers of Isodesmosine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Isodesmosine?

Suppliers quote Isodesmosine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isodesmosine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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