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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 91846469
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Accession:CHEBI:155091 term browser browse the term
Synonyms:related_synonym: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[3-O-sulfo-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;   Formula=C112H184N8O84S;   InChI=1S/C112H184N8O84S/c1-26-59(145)73(159)75(161)102(177-26)175-25-50-86(68(154)53(96(167)178-50)115-29(4)135)191-99-56(118-32(7)138)70(156)81(43(18-127)184-99)192-103-77(163)90(66(152)49(189-103)24-176-107-94(74(160)63(149)40(15-124)182-107)198-100-57(119-33(8)139)71(157)82(45(20-129)185-100)193-104-78(164)91(64(150)41(16-125)180-104)202-111(109(168)169)10-35(141)51(113-27(2)133)88(200-111)60(146)37(143)12-121)197-108-95(199-101-58(120-34(9)140)72(158)83(46(21-130)186-101)194-105-79(165)92(204-205(172,173)174)65(151)42(17-126)181-105)76(162)85(47(22-131)188-108)190-98-55(117-31(6)137)69(155)84(44(19-128)183-98)195-106-80(166)93(87(48(23-132)187-106)196-97-54(116-30(5)136)67(153)62(148)39(14-123)179-97)203-112(110(170)171)11-36(142)52(114-28(3)134)89(201-112)61(147)38(144)13-122/h26,35-108,121-132,141-167H,10-25H2,1-9H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,168,169)(H,170,171)(H,172,173,174)/t26-,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?,97-,98-,99-,100-,101-,102+,103-,104-,105-,106-,107-,108+,111-,112-/m0/s1;   InChIKey=RCCKNVAUQVUCRV-NZEKKKEHSA-N;   NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)[Gal3S(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;   SMILES=S(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]3[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O[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@]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]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O[C@@H]3O[C@H]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]%10CO[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)O)[C@H]8O)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)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O;   WURCS=2.0/9,15,14/[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-6-7-8-4-2-6-7-9/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_h4-j1_k2-l1_l4-m1_m3-n2
 xref: GlyGen:G94277TH;   GlyTouCan:G94277TH

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                                    CID 91846469 0
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