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Paucimannose

CAT: 0013-GTR19219446-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219446-02Size:50 mg
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Description
Paucimannose is a short mannose-chain N-glycan epitope commonly observed in plants and invertebrates, and it is also associated with cancer. This small molecule is used in research to study glycosylation changes in cancer biology and immunology, supporting both in vitro and in vivo experimental models.
CAS Number
70858-45-6
Smiles
O ([C@@H]1[C@@H] (CO) O[C@@H] (O[C@@H] ([C@@H] ([C@@H] (NC (C) =O) C=O) O) [C@@H] (CO) O) [C@H] (NC (C) =O) [C@H]1O) [C@H]2[C@@H] (O) [C@@H] (O[C@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]3O) [C@H] (O) [C@@H] (CO[C@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@@H]4O) O2
Molecular Formula
C34H58N2O26
Molecular Weight
910.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-D-Manp-(1->3)-(alpha-D-Manp-(1->6))-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc

Alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc is a branched pentasaccharide consisting of a D-GlcNAc residue at the reducing end with an alpha-D-Man-(13)-[alpha-D-Man-(16)]-beta-D-Man-(14)-beta-D-GlcNAc moiety attached via a beta-(14) linkage. It has a role as a carbohydrate allergen. It is a paucimannose N-glycan and an amino pentasaccharide.

CAS Number70858-45-6
PubChem CID44263861
IUPAC NameN-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular FormulaC34H58N2O26
Molecular Weight910.8
XLogP-10.6
Topological Polar Surface Area445
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count15
Heavy Atom Count62
Formal Charge0
Complexity1440
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C34H58N2O26/c1-8(41)35-15-20(46)27(12(5-39)55-30(15)53)60-31-16(36-9(2)42)21(47)28(13(6-40)58-31)61-34-26(52)29(62-33-25(51)23(49)18(44)11(4-38)57-33)19(45)14(59-34)7-54-32-24(50)22(48)17(43)10(3-37)56-32/h10-34,37-40,43-53H,3-7H2,1-2H3,(H,35,41)(H,36,42)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30?,31+,32+,33-,34+/m1/s1
InChIKey
ZTOKCBJDEGPICW-MYRNNJPSSA-N
Chemical Structure
2D Structure
2D structure of alpha-D-Manp-(1->3)-(alpha-D-Manp-(1->6))-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
CAS: 70858-45-6
CID: 44263861
Formula: C34H58N2O26
MW: 910.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight910.8
XLogP3-10.6
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count15
Exact Mass910.32777996
Monoisotopic Mass910.32777996
Topological Polar Surface Area445 Ų
Heavy Atom Count62
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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