CHEBI:155730 - CID 91850084

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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 91850084
ChEBI ID CHEBI:155730
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C101H165N7O74
Net Charge 0
Average Mass 2661.406
Monoisotopic Mass 2659.93633
InChI InChI=1S/C101H165N7O74/c1-24-54(131)67(144)70(147)90(161-24)158-22-46-77(63(140)50(86(151)162-46)105-28(5)121)171-87-51(106-29(6)122)64(141)74(41(18-115)166-87)172-91-71(148)81(61(138)44(169-91)21-159-94-84(68(145)58(135)38(15-112)164-94)176-88-52(107-30(7)123)65(142)75(42(19-116)167-88)173-92-72(149)82(60(137)40(17-114)163-92)181-100(97(154)155)10-33(126)48(103-26(3)119)79(179-100)56(133)36(129)13-110)175-95-85(69(146)59(136)39(16-113)165-95)177-89-53(108-31(8)124)66(143)76(43(20-117)168-89)174-93-73(150)83(182-101(98(156)157)11-34(127)49(104-27(4)120)80(180-101)57(134)37(130)14-111)62(139)45(170-93)23-160-99(96(152)153)9-32(125)47(102-25(2)118)78(178-99)55(132)35(128)12-109/h24,32-95,109-117,125-151H,9-23H2,1-8H3,(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,152,153)(H,154,155)(H,156,157)/t24-,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+,99+,100-,101-/m0/s1
InChIKey MLIYKWYANUZLCH-SQIGOYBLSA-N
SMILES O([C@H]1[C@H](O)[C@H](NC(=O)C)[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]([C@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)CO)O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]9CO[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)O)O[C@@H]([C@@H](O)[C@@H]2O)CO)O[C@@H]1CO)[C@@H]%11O[C@@H]([C@H](O)[C@H](O[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%11O)CO[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O
ChEBI Ontology
Outgoing CID 91850084 (CHEBI:155730) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc SUBMITTER
WURCS=2.0/7,13,12/[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][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-6-4-2-5-6-7/a4-b1_a6-m1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f3-g2_f6-h2_i2-j1_j4-k1_k3-l2 SUBMITTER
Manual Xrefs Databases
G94019IV GlyTouCan
G94019IV GlyGen
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