Lactose glycan structure

Cross-references

GlyTouCan : G08431YY

GlyGen : G08431YY

ChEBI : 146832

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Composition

Hex:4 HexNAc:2 dHex:2 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc

GlycoCT

RES
1b:x-dglc-HEX-1:5
2b:b-dgal-HEX-1:5
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
7s:n-acetyl
8b:a-lgal-HEX-1:5|6:d
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:a-lgal-HEX-1:5|6:d
12b:b-dgal-HEX-1:5
LIN
1:1o(4+1)2d
2:2o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:5o(3+2)6d
6:6d(5+1)7n
7:3o(4+1)8d
8:2o(6+1)9d
9:9d(2+1)10n
10:9o(3+1)11d
11:9o(4+1)12d

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p(--3b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--4a1L-Fuc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p$MONO,Und,0,0,freeEnd

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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O)CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)NC(=O)C)O)CO)O)O)O

InCHI key

GKRLLPTWDWKEDC-ADEJEMNKSA-N

InCHI

InChI=1S/C63H105N3O47/c1-14-30(78)36(84)41(89)57(98-14)107-48-25(12-72)104-56(29(66-18(5)75)51(48)110-61-45(93)53(34(82)22(9-69)102-61)113-63(62(95)96)6-19(76)27(64-16(3)73)49(112-63)32(80)20(77)7-67)111-52-35(83)26(105-60(44(52)92)106-46-23(10-70)100-54(94)40(88)39(46)87)13-97-55-28(65-17(4)74)50(109-58-42(90)37(85)31(79)15(2)99-58)47(24(11-71)103-55)108-59-43(91)38(86)33(81)21(8-68)101-59/h14-15,19-61,67-72,76-94H,6-13H2,1-5H3,(H,64,73)(H,65,74)(H,66,75)(H,95,96)/t14-,15-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52-,53-,54?,55+,56-,57-,58-,59-,60-,61-,63-/m0/s1