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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:alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0)
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Accession:CHEBI:145754 term browser browse the term
Definition:A sialopentaosylceramide consisting of a branched hexasaccharide made up from one sialyl residue, two galactose residues, one L-fucose residue, one N-acetyl-6-sulfoglucosamine residue and one glucose residue, which at the reducing end is attached to a d18:1/18:0 ceramide moiety via a beta-linkage; commonly known as sialyl 6-sulfo Lewis X.
Synonyms:exact_synonym: (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
 related_synonym: (2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside;   (2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-enyl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->3)-beta-D-galactosyl-(1->4)-[6-deoxy-alpha-L-galactosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside;   Formula=C79H141N3O38S;   InChI=1S/C79H141N3O38S/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-54(92)82-46(47(89)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)41-108-74-64(100)62(98)67(52(40-86)113-74)115-76-65(101)71(59(95)50(38-84)111-76)118-73-56(81-45(5)88)70(117-75-63(99)61(97)57(93)43(3)110-75)68(53(114-73)42-109-121(105,106)107)116-77-66(102)72(60(96)51(39-85)112-77)120-79(78(103)104)36-48(90)55(80-44(4)87)69(119-79)58(94)49(91)37-83/h32,34,43,46-53,55-77,83-86,89-91,93-102H,6-31,33,35-42H2,1-5H3,(H,80,87)(H,81,88)(H,82,92)(H,103,104)(H,105,106,107)/b34-32+/t43-,46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58+,59-,60-,61+,62+,63-,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77-,79-/m0/s1;   InChIKey=KDWPFEQVBKKOIB-HOHBTGFYSA-N;   N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]octadecanamide;   SMILES=[C@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3COS(=O)(=O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)O)O)O)NC(=O)C)O[C@@H]6O[C@H]([C@H]([C@H]([C@@H]6O)O)O)C;   alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer(d18:1/18:0);   sialyl 6-sulfo Lewis X
 xref: PMID:9990070


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  CHEBI ontology 19831
    role 19807
      chemical role 19442
        catalyst 8293
          sulfuric acid 8242
            sulfuric acid derivative 8242
              organic sulfate 2275
                carbohydrate sulfate 1755
                  oligosaccharide sulfate 2
                    alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) 0
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17549
                                            carboxamide 17549
                                              ceramide 127
                                                ganglioside 12
                                                  sialopentaosylceramide 0
                                                    alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) 0
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