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Man-3a N-Glycan

CAT: 0926-OM10175-01Size: 10 µgDry Ice: NoHazardous: No
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CAT#:0926-OM10175-01Size:10 µg
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CAS Number
70858-45-6
Synonyms
Oligomannose-3a
Smiles
CC (=O) NC1C (O) OC (CO) [C@@H] (O[C@@H]2OC (CO) [C@@H] (O[C@@H]3OC (CO[C@H]4OC (CO) [C@@H] (O) [C@H] (O) C4O) [C@@H] (O) [C@H] (O[C@H]5OC (CO) [C@@H] (O) [C@H] (O) C5O) C3O) [C@H] (O) C2NC (=O) C) [C@@H]1O
Molecular Formula
C34H58N2O26
Molecular Weight
910.82 g/mol
Controlled
No

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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297465Man-3a N-Glycan
297449Man-9 N-Glycan
297447-01Man-5 N-Glycan
297466-01Man-7D1 N-Glycan
297452Man-8 N-Glycan
297450-01Man-6 N-Glycan
297552-01Man-1 N-Glycan
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