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Chitoheptaose

CAT: 0013-GTR19245081-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245081-01Size:50 mg
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Description
Chitoheptaose is a type of chitohexose, extracted from the exoskeletons of crustacean animals such as crabs, shrimp, and lobsters. Chitoheptaose possesses antioxidant, anti-inflammatory, and anti-apoptotic properties and is commonly used in studies on myocarditis, demonstrating cardioprotective effects. It stands out in improving cardiac parameters (left ventricular internal dimensions, end-systolic and end-diastolic, ejection fraction, and shortening fraction) and inhibiting inflammatory cytokines (IL-1β) .
CAS Number
68232-35-9
Smiles
OC[C@@H] (O[C@H] ([C@@H] ([C@H]1O) N) O[C@@H]2[C@H] (O[C@H] ([C@@H] ([C@H]2O) N) O[C@H] ([C@H] (O) CO) [C@H] (O) [C@@H] (N) C=O) CO) [C@H]1O[C@@H]3O[C@@H] ([C@H] ([C@@H] ([C@H]3N) O) O[C@@H]4O[C@@H] ([C@H] ([C@@H] ([C@H]4N) O) O[C@@H]5O[C@@H] ([C@H] ([C@@H] ([C@H]5N) O) O[C@@H]6O[C@@H] ([C@H] ([C@@H] ([C@H]6N) O) O) CO) CO) CO) CO
Molecular Formula
C42H79N7O29
Molecular Weight
1146.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chitoheptaose 7-hydrochloride
CAS Number68232-35-9
PubChem CID102602304
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;heptahydrochloride
Molecular FormulaC42H86Cl7N7O29
Molecular Weight1401.3
Topological Polar Surface Area626
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count36
Rotatable Bond Count19
Heavy Atom Count85
Formal Charge0
Complexity1840
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)N)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)N)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)N)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)N)O)CO)CO)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl.Cl
InChI
InChI=1S/C42H79N7O29.7ClH/c43-15-24(59)30(9(2-51)66-36(15)65)73-38-17(45)26(61)32(11(4-53)68-38)75-40-19(47)28(63)34(13(6-55)70-40)77-42-21(49)29(64)35(14(7-56)72-42)78-41-20(48)27(62)33(12(5-54)71-41)76-39-18(46)25(60)31(10(3-52)69-39)74-37-16(44)23(58)22(57)8(1-50)67-37;;;;;;;/h8-42,50-65H,1-7,43-49H2;7*1H/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37+,38+,39+,40+,41+,42+;;;;;;;/m1......./s1
InChIKey
XILROFQEQZNQLF-PHLWITABSA-N
Chemical Structure
2D Structure
2D structure of Chitoheptaose 7-hydrochloride
CAS: 68232-35-9
CID: 102602304
Formula: C42H86Cl7N7O29
MW: 1401.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1401.3
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count36
Rotatable Bond Count19
Exact Mass1399.326013
Monoisotopic Mass1397.328964
Topological Polar Surface Area626 Ų
Heavy Atom Count85
Formal Charge0
Complexity1840
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes

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HY-W145695Chitoheptaose
OC09272-01Chitoheptaose 7HCl
HY-N7697DChitoheptaose (heptahydrochloride)
T37252Chitoheptaose heptahydrochloride
57/11-00005Chitoheptaose, hepta-N-acetyl

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