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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:CID 91852290
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Accession:CHEBI:155291 term browser browse the term
Synonyms:related_synonym: 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->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)-[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->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-D-gluco-hexopyranose;   Formula=C115H188N8O84;   InChI=1S/C115H188N8O84/c1-27-61(148)76(163)80(167)103(183-27)180-25-52-89(71(158)56(98(172)184-52)119-31(5)137)195-100-58(121-33(7)139)73(160)86(46(20-131)189-100)197-105-82(169)93(200-109-97(78(165)65(152)42(16-127)187-109)202-102-60(123-35(9)141)75(162)88(48(22-133)191-102)199-107-84(171)95(69(156)44(18-129)186-107)207-115(112(177)178)12-38(144)55(118-30(4)136)92(205-115)64(151)41(147)15-126)70(157)50(192-105)24-181-108-96(201-101-59(122-34(8)140)74(161)87(47(21-132)190-101)198-106-83(170)94(68(155)43(17-128)185-106)206-114(111(175)176)11-37(143)54(117-29(3)135)91(204-114)63(150)40(146)14-125)79(166)67(154)49(194-108)23-179-99-57(120-32(6)138)72(159)85(45(19-130)188-99)196-104-81(168)77(164)66(153)51(193-104)26-182-113(110(173)174)10-36(142)53(116-28(2)134)90(203-113)62(149)39(145)13-124/h27,36-109,124-133,142-172H,10-26H2,1-9H3,(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)(H,173,174)(H,175,176)(H,177,178)/t27-,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-,97-,98?,99+,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,113+,114-,115-/m0/s1;   InChIKey=IGASLKZCZSGNNQ-SADCKEDYSA-N;   NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc;   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(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@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)CO)[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@]%15(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%15)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO)CO;   WURCS=2.0/7,15,14/[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]/1-2-3-4-2-5-6-4-2-5-6-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m6-n2
 xref: GlyGen:G95109CV;   GlyTouCan:G95109CV

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