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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:1,2-di-O-stearoyl-3-S-\{2-[(2-\{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl\}ethyl)amino]-2-oxoethyl\}monothioglycerol
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Accession:CHEBI:83702 term browser browse the term
Definition:A monothioglycerolipid in which the parent monothioglycerol is esterified on O-1 and O-2 by stearoyl groups and on S-3 by a 2-[(2-{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl group
Synonyms:exact_synonym: 3-({2-[(2-{[beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}ethyl)amino]-2-oxoethyl}thio)propane-1,2-diyl dioctadecanoate
 related_synonym: 1,2-di-O-stearoyl-3-S-{2-[(2-{beta-D-Glc-(1->4)-[beta-D-Glc-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol;   3-({2-[(2-{[beta-D-glucosyl-(1->4)-[beta-D-glucosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminyl]oxy}ethyl)amino]-2-oxoethyl}thio)propane-1,2-diyl distearoate;   Formula=C69H126N2O26S;   InChI=1S/C69H126N2O26S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(77)89-41-46(91-53(78)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)43-98-44-51(76)70-36-37-88-66-54(71-45(3)75)57(81)65(97-69-62(86)59(83)56(80)48(39-73)93-69)50(95-66)42-90-67-63(87)60(84)64(49(40-74)94-67)96-68-61(85)58(82)55(79)47(38-72)92-68/h46-50,54-69,72-74,79-87H,4-44H2,1-3H3,(H,70,76)(H,71,75)/t46?,47-,48-,49-,50-,54-,55-,56-,57-,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+/m1/s1;   InChIKey=RYENVOZYQUSTGE-NZBIILLJSA-N;   PBS150;   SMILES=CCCCCCCCCCCCCCCCCC(=O)OCC(CSCC(=O)NCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCCCC
 xref: PMID:24043771


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  CHEBI ontology 21569
    role 21548
      biological role 21546
        osmolyte 2028
          glycerol 1744
            glycerolipid 271
              1,2-di-O-stearoyl-3-S-\{2-[(2-\{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl\}ethyl)amino]-2-oxoethyl\}monothioglycerol 0
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  CHEBI ontology 21569
    subatomic particle 21555
      composite particle 21555
        hadron 21555
          baryon 21555
            nucleon 21555
              atomic nucleus 21555
                atom 21555
                  main group element atom 21461
                    p-block element atom 21461
                      carbon group element atom 21254
                        carbon atom 21151
                          organic molecular entity 21151
                            heteroorganic entity 20786
                              organochalcogen compound 20005
                                organooxygen compound 19926
                                  carbohydrates and carbohydrate derivatives 12809
                                    carbohydrate 12809
                                      oligosaccharide 525
                                        oligosaccharide derivative 127
                                          amino oligosaccharide 2
                                            amino tetrasaccharide 1
                                              1,2-di-O-stearoyl-3-S-\{2-[(2-\{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl\}ethyl)amino]-2-oxoethyl\}monothioglycerol 0
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