Complex glycan structure

Cross-references

GlyTouCan : G59742GY

GlyGen : G59742GY

ChEBI : 152515

---

Composition

Hex:9 HexNAc:8 dHex:1 NeuAc:4

---

IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dman-HEX-1:5
6b:a-dman-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
17b:a-dman-HEX-1:5
18b:b-dglc-HEX-1:5
19s:n-acetyl
20b:b-dgal-HEX-1:5
21b:b-dglc-HEX-1:5
22s:n-acetyl
23b:b-dgal-HEX-1:5
24b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
25s:n-acetyl
26b:b-dglc-HEX-1:5
27s:n-acetyl
28b:b-dgal-HEX-1:5
29b:b-dglc-HEX-1:5
30s:n-acetyl
31b:b-dgal-HEX-1:5
32b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
33s:n-acetyl
34b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:6o(4+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:14o(3+2)15d
15:15d(5+1)16n
16:5o(6+1)17d
17:17o(2+1)18d
18:18d(2+1)19n
19:18o(4+1)20d
20:20o(3+1)21d
21:21d(2+1)22n
22:21o(4+1)23d
23:23o(3+2)24d
24:24d(5+1)25n
25:17o(6+1)26d
26:26d(2+1)27n
27:26o(4+1)28d
28:28o(3+1)29d
29:29d(2+1)30n
30:29o(4+1)31d
31:31o(3+2)32d
32:32d(5+1)33n
33:1o(6+1)34d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

DTHHDFMGVMBITH-SKPKLIPQSA-N

InCHI

InChI=1S/C168H274N12O122/c1-39-89(219)110(240)112(242)151(263-39)261-38-76-129(102(232)81(143(251)264-76)173-44(6)203)282-146-84(176-47(9)206)105(235)123(67(29-192)273-146)285-154-116(246)136(292-160-142(294-150-88(180-51(13)210)109(239)127(72(34-197)277-150)289-158-120(250)140(100(230)65(27-190)270-158)302-168(164(258)259)17-55(214)80(172-43(5)202)133(298-168)93(223)59(218)21-184)113(243)128(73(35-198)278-160)281-145-83(175-46(8)205)104(234)124(68(30-193)272-145)286-155-117(247)137(97(227)62(24-187)267-155)299-165(161(252)253)14-52(211)77(169-40(2)199)130(295-165)90(220)56(215)18-181)101(231)75(279-154)37-262-159-141(293-149-87(179-50(12)209)108(238)122(71(33-196)276-149)284-153-115(245)135(96(226)61(23-186)266-153)291-148-86(178-49(11)208)107(237)126(70(32-195)275-148)288-157-119(249)139(99(229)64(26-189)269-157)301-167(163(256)257)16-54(213)79(171-42(4)201)132(297-167)92(222)58(217)20-183)111(241)94(224)74(280-159)36-260-144-82(174-45(7)204)103(233)121(66(28-191)271-144)283-152-114(244)134(95(225)60(22-185)265-152)290-147-85(177-48(10)207)106(236)125(69(31-194)274-147)287-156-118(248)138(98(228)63(25-188)268-156)300-166(162(254)255)15-53(212)78(170-41(3)200)131(296-166)91(221)57(216)19-182/h39,52-160,181-198,211-251H,14-38H2,1-13H3,(H,169,199)(H,170,200)(H,171,201)(H,172,202)(H,173,203)(H,174,204)(H,175,205)(H,176,206)(H,177,207)(H,178,208)(H,179,209)(H,180,210)(H,252,253)(H,254,255)(H,256,257)(H,258,259)/t39-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95-,96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111-,112-,113-,114+,115+,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134-,135-,136-,137-,138-,139-,140-,141-,142-,143+,144+,145-,146-,147-,148-,149-,150-,151+,152-,153-,154-,155-,156-,157-,158-,159-,160+,165-,166-,167-,168-/m0/s1