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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 146015418
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Accession:CHEBI:156874 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)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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=C98H161N7O75S;   InChI=1S/C98H161N7O75S/c1-23(117)99-45-30(124)8-97(95(148)149,177-77(45)52(128)32(126)10-106)156-22-44-55(131)64(140)66(142)89(167-44)170-72-38(16-112)164-88(51(62(72)138)105-29(7)123)176-83-67(143)76(169-86-49(103-27(5)121)61(137)75(40(18-114)162-86)173-92-70(146)81(180-181(152,153)154)57(133)36(14-110)159-92)42(20-116)165-94(83)174-79-58(134)43(166-90(68(79)144)171-73-39(17-113)161-85(48(60(73)136)102-26(4)120)168-71-37(15-111)157-84(147)47(59(71)135)101-25(3)119)21-155-93-82(65(141)54(130)34(12-108)160-93)175-87-50(104-28(6)122)63(139)74(41(19-115)163-87)172-91-69(145)80(56(132)35(13-109)158-91)179-98(96(150)151)9-31(125)46(100-24(2)118)78(178-98)53(129)33(127)11-107/h30-94,106-116,124-147H,8-22H2,1-7H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,148,149)(H,150,151)(H,152,153,154)/t30-,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+,97+,98-/m0/s1;   InChIKey=BVSOOJWCLZWCNS-DVDZPMBDSA-N;   NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-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](O)[C@H]5O)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H](O[C@H]7[C@H](O)[C@H](O[C@@H](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@@H](O[C@@H]9CO)O)[C@H]7O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[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)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO)O[C@@H]3CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O;   WURCS=2.0/6,13,12/[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][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-1-2-3-1-4-5-1-6-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_k4-l1_l3-m2
 xref: GlyGen:G69170UT;   GlyTouCan:G69170UT


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                carbohydrates and carbohydrate derivatives 0
                  CID 146015418 0
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    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    CID 146015418 0
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