CHEBI:156781 - CID 146015865

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 146015865
ChEBI ID CHEBI:156781
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)65(138)89(148-21)146-20-40-77(56(129)41(83(145)149-40)97-22(2)114)164-86-44(100-25(5)117)59(132)75(36(16-111)157-86)167-94-71(144)80(54(127)39(161-94)19-147-95-81(64(137)51(124)31(11-106)155-95)171-87-46(102-27(7)119)60(133)74(37(17-112)159-87)166-93-70(143)79(53(126)33(13-108)154-93)169-91-67(140)63(136)50(123)30(10-105)152-91)170-96-82(172-88-45(101-26(6)118)57(130)72(34(14-109)158-88)162-84-42(98-23(3)115)55(128)48(121)28(8-103)150-84)68(141)76(38(18-113)160-96)163-85-43(99-24(4)116)58(131)73(35(15-110)156-85)165-92-69(142)78(52(125)32(12-107)153-92)168-90-66(139)62(135)49(122)29(9-104)151-90/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 HZSRMYBHDUSENG-VELWPBKWSA-N
SMILES O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H](O)[C@@H]5NC(=O)C)CO)CO)[C@@H]7[C@H](O)[C@@H](O[C@@H]([C@H]7O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O[C@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)O[C@H]%12[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%12CO)O[C@H]%13[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%13CO[C@@H]%14O[C@H]([C@@H](O)[C@@H](O)[C@@H]%14O)C)O
ChEBI Ontology
Outgoing CID 146015865 (CHEBI:156781) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->3)-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-beta-D-gluco-hexopyranose SUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-4)[GalNAc(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc SUBMITTER
WURCS=2.0/7,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-5-6-3-1-5-6-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i1_j2-k1_k4-l1_l3-m1 SUBMITTER
Manual Xrefs Databases
G74807KC GlyTouCan
G74807KC GlyGen
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