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Dimerum acid

CAT: 0013-GTR19248463-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248463-02Size:50 mg
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Description
Dimerum acid is a fungal siderophore that enhances iron bioavailability for both Strategy I and II plants. It is used in plant nutrition research to study iron uptake mechanisms and has applications in agricultural studies to improve iron supply efficiency in crops like maize and cucumber.
CAS Number
26912-16-3
Field of Research
Metabolism Research
Smiles
C (CCN (C (/C=C (/CCO) \C) =O) O) [C@H]1C (=O) N[C@@H] (CCCN (C (/C=C (/CCO) \C) =O) O) C (=O) N1
Molecular Formula
C22H36N4O8
Molecular Weight
484.543
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dimerum acid

structure

CAS Number26912-16-3
PubChem CID137645418
IUPAC Name(E)-N,5-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide
Molecular FormulaC22H36N4O8
Molecular Weight484.5
XLogP-0.5
Topological Polar Surface Area180
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity719
SMILES
C/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@@H](NC1=O)CCCN(O)C(=O)/C=C(/CCO)\C)/CCO
InChI
InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t17-,18-/m0/s1
InChIKey
MKDKGLNKTMDNHY-URISWADMSA-N
Chemical Structure
2D Structure
2D structure of Dimerum acid
CAS: 26912-16-3
CID: 137645418
Formula: C22H36N4O8
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP3-0.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass484.25331412
Monoisotopic Mass484.25331412
Topological Polar Surface Area180 Ų
Heavy Atom Count34
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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