CHEBI:155232 - CID 91848232

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CID 91848232
ChEBI ID CHEBI:155232
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C96H160N6O70
Net Charge 0
Average Mass 2518.308
Monoisotopic Mass 2516.91447
InChI InChI=1S/C96H160N6O70/c1-21-47(120)61(134)68(141)89(148-21)146-20-40-77(55(128)41(83(145)149-40)97-22(2)114)162-84-42(98-23(3)115)56(129)74(36(16-111)156-84)165-92-71(144)78(168-96-82(67(140)53(126)33(13-108)155-96)172-88-46(102-27(7)119)60(133)76(38(18-113)160-88)167-95-81(66(139)52(125)32(12-107)154-95)171-87-44(100-25(5)117)58(131)73(35(15-110)158-87)164-91-70(143)63(136)49(122)29(9-104)151-91)54(127)39(161-92)19-147-93-79(64(137)50(123)30(10-105)152-93)169-85-45(101-26(6)118)59(132)75(37(17-112)159-85)166-94-80(65(138)51(124)31(11-106)153-94)170-86-43(99-24(4)116)57(130)72(34(14-109)157-86)163-90-69(142)62(135)48(121)28(8-103)150-90/h21,28-96,103-113,120-145H,8-20H2,1-7H3,(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)/t21-,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+,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+/m0/s1
InChIKey ZEEKZNSAJIQEMH-XDSCLLBQSA-N
SMILES O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@@H](O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO)CO)[C@H](O)[C@@H]%11NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 91848232 (CHEBI:155232) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
Gal(b1-4)GlcNAc(b1-2)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/6,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f2-g1_g4-h1_i2-j1_j4-k1_k2-l1_l4-m1 SUBMITTER
Manual Xrefs Databases
G94809SW GlyTouCan
G94809SW GlyGen
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