CHEBI:156747 - CID 146015819

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 146015819
ChEBI ID CHEBI:156747
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C96H160N6O70
Net Charge 0
Average Mass 2518.308
Monoisotopic Mass 2516.91447
InChI InChI=1S/C96H160N6O70/c1-21-47(119)60(132)66(138)89(149-21)147-20-40-78(55(127)41(83(145)150-40)97-22(2)113)164-86-44(100-25(5)116)58(130)76(36(16-111)158-86)168-94-72(144)80(170-96-82(172-88-46(102-27(7)118)79(53(125)32(12-107)151-88)169-93-70(142)64(136)51(123)31(11-106)155-93)71(143)77(37(17-112)160-96)163-85-43(99-24(4)115)57(129)74(34(14-109)157-85)166-91-68(140)62(134)49(121)29(9-104)153-91)54(126)39(161-94)19-148-95-81(171-87-45(101-26(6)117)59(131)75(35(15-110)159-87)167-92-69(141)63(135)50(122)30(10-105)154-92)65(137)52(124)38(162-95)18-146-84-42(98-23(3)114)56(128)73(33(13-108)156-84)165-90-67(139)61(133)48(120)28(8-103)152-90/h21,28-96,103-112,119-145H,8-20H2,1-7H3,(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)/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 KIXJIVVKAXGCTP-ZLLCSXDWSA-N
SMILES O([C@H]1[C@H](O)[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@@H](O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)[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)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO[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)[C@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@@H]%10O[C@@H]%13O[C@@H]([C@@H](O)[C@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O)[C@@H]%14O)CO)[C@H]%13NC(=O)C)CO)CO
ChEBI Ontology
Outgoing CID 146015819 (CHEBI:156747) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->3)-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->4)]-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->6)]-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-beta-D-gluco-hexopyranose SUBMITTER
Gal(b1-3)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/5,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-3-1-4-1-4-5/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e3-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1 SUBMITTER
Manual Xrefs Databases
G16679DU GlyTouCan
G16679DU GlyGen
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