O-Man glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G68639CF
GlyGen : G68639CF
ChEBI : 153138
Composition
GlycoCT
RES 1b:a-dman-HEX-1:5 2b:b-dglc-HEX-1:5 3s:n-acetyl 4b:b-dgal-HEX-1:5 5b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 6s:n-acetyl LIN 1:1o(2+1)2d 2:2d(2+1)3n 3:2o(4+1)4d 4:4o(6+2)5d 5:5d(5+1)6n
GWS
freeEnd--?a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)CO)O)O)O)O
InCHI key
YKAGIHAIZDSGNO-GLEFFNHASA-N
InCHI
InChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,57-25(15)17(41)11(40)4-34)51-7-14-19(43)21(45)23(47)29(54-14)55-24-13(6-36)53-28(16(20(24)44)33-9(2)38)56-26-22(46)18(42)12(5-35)52-27(26)48/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+,24+,25+,26-,27-,28-,29-,31+/m0/s1