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Amino acids and derivatives

Mannopine

Also known as D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, (S)-, (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid, (2S)-5-amino-5-oxo-2-(((2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)pentanoic acid

CAS 87084-52-4Formula C11H22N2O8Molar mass 310.30 g/mol
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Mannopine chemical structure, C11H22N2O8, CAS 87084-52-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87084-52-4
Formula
C11H22N2O8
Molar mass
310.30 g/mol
HS code
292419
Category
Amino acids and derivatives

What is Mannopine?

Plain description, key identifiers and synonyms

Mannopine is a hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. It has a role as a plant metabolite. It is a L-glutamine derivative, a dicarboxylic acid monoamide, a secondary amino compound, a hexitol derivative, an amino acid opine and a non-proteinogenic L-alpha-amino acid. It is functionally related to a D-mannitol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CAS number
87084-52-4 CAS number cross-checked
Molecular formula
C11H22N2O8
UNII
NJE67R3WPC
InChIKey
VPRLICVDSGMIKO-SZWOQXJISA-N
InChI
InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1
Canonical SMILES
NC(=O)CCC(NCC(O)C(O)C(O)C(O)CO)C(=O)O
Isomeric SMILES
C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Synonyms

  • D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, (S)-
  • (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
  • (2S)-5-amino-5-oxo-2-(((2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)pentanoic acid
  • (2S)-5-Amino-5-oxo-2-{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}pentanoic acid
  • (2S)-5-amino-5-oxo-2-(((2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)azaniumyl)pentanoate
  • N(alpha)-(1-D-mannityl)-L-glutamine
  • N2-(1-Deoxy-D-mannitol-1-yl)-L-glutamine
  • L-Glutamine, N2-(1-deoxy-D-mannitol-1-yl)-
  • N(2)-(1'-deoxy-D-mannitol-1'-yl)-L-glutamine
  • 1-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitol

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
310.30 g/molcalc.
Exact mass
310.1376 Dacalc.
LogP (octanol/water)
-4.27calc.
Topological polar surface area
193.6 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
11calc.
Heavy atoms
21calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Mannopine suppliers

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Mannopine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Mannopine is traded under.

HS 2924.19Indicative HS code

Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$2.38B
−1.7% vs 2023, imports $2.22B
2019 to 2024
Top exporters
  1. China34.7%
  2. Germany12.5%
  3. India * partner reported6.8%
Top importers
  1. United States17.5%
  2. Germany8.8%
  3. India * partner reported6.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Mannopine?

Mannopine is a hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. It has a role as a plant metabolite.

What is the CAS number of Mannopine?

The CAS registry number of Mannopine is 87084-52-4.

What is the molecular formula and weight of Mannopine?

The molecular formula of Mannopine is C11H22N2O8 and its molar mass is 310.30 g/mol.

What is Mannopine used for?

Known uses and roles of Mannopine include eukaryotic metabolite, metabolite and plant metabolite.

Is Mannopine hazardous?

No GHS hazard classification for Mannopine 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 Mannopine?

Mannopine is usually classified under HS code 292419 (Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mannopine?

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

What is the price of Mannopine?

Suppliers quote Mannopine 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 Mannopine

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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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