Mesaconic acid

CAT: 1410-M22873-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M22873-01Size:1 mL x 10 mM in DMSO

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Description

Mesaconic acid is used as a fire retardant, as recent studies revealed this acid is a competitive inhibitor of fumarate reduction.

CAS Number

498-24-8

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

130.1

Molecular Formula

C5H6O4

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

Mesaconic acid

Mesaconic acid is a dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. It has a role as a plant metabolite and a human metabolite. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a fumaric acid. It is a conjugate acid of a mesaconate(2-).

CAS Number	498-24-8
PubChem CID	638129
IUPAC Name	(E)-2-methylbut-2-enedioic acid
Molecular Formula	C5H6O4
Molecular Weight	130.10
XLogP	-0.1
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	168

SMILES

C/C(=C\C(=O)O)/C(=O)O

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

InChIKey

HNEGQIOMVPPMNR-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 498-24-8

CID: 638129

Formula: C5H6O4

MW: 130.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	130.10
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	130.02660867
Monoisotopic Mass	130.02660867
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	168
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
454376-01	Mesaconic Acid
M04840-01	Mesaconic acid 98%
HY-78036R-01	Mesaconic acid (Standard)
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid

Mesaconic acid

Chemical Information

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