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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 91850214
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Accession:CHEBI:150812 term browser browse the term
Synonyms:related_synonym: 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)-[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->6)]-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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose;   Formula=C109H178N8O80;   InChI=1S/C109H178N8O80/c1-26(129)110-51-34(137)9-107(104(165)166,193-85(51)59(143)37(140)12-118)173-25-50-63(147)73(157)76(160)98(183-50)186-82-45(20-126)181-97(58(71(82)155)117-33(8)136)192-92-75(159)64(148)48(23-171-94-55(114-30(5)133)69(153)81(44(19-125)178-94)188-100-78(162)89(65(149)41(16-122)175-100)196-108(105(167)168)10-35(138)52(111-27(2)130)86(194-108)60(144)38(141)13-119)184-103(92)190-88-67(151)49(182-99(77(88)161)187-83-46(21-127)179-95(56(70(83)154)115-31(6)134)185-80-43(18-124)174-93(164)54(68(80)152)113-29(4)132)24-172-102-91(74(158)62(146)40(15-121)177-102)191-96-57(116-32(7)135)72(156)84(47(22-128)180-96)189-101-79(163)90(66(150)42(17-123)176-101)197-109(106(169)170)11-36(139)53(112-28(3)131)87(195-109)61(145)39(142)14-120/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,165,166)(H,167,168)(H,169,170)/t34-,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+,107+,108-,109-/m0/s1;   InChIKey=VUEACRIAYOZGMU-IZCPRLMPSA-N;   NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-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@@H](O[C@@H]3CO)O)[C@H]1O)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)[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]%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)CO[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO;   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][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d6-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2
 xref: GlyGen:G43351VW;   GlyTouCan:G43351VW


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  CHEBI ontology 26040
    chemical entity 26019
      molecular entity 25997
        polyatomic entity 25882
          macromolecule 9560
            biomacromolecule 9084
              polysaccharide 8972
                CID 91850214 0
Path 2
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  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25437
                        carbon atom 25395
                          organic molecular entity 25395
                            heteroorganic entity 24770
                              organochalcogen compound 24383
                                organooxygen compound 24060
                                  carbohydrates and carbohydrate derivatives 16777
                                    carbohydrate 16777
                                      polysaccharide 8972
                                        CID 91850214 0
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