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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 880
    role 860
      biological role 860
        osmolyte 15
          glycerol 15
            glycerolipid 2
              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
Path 2
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  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            heteroorganic entity 582
                              organochalcogen compound 528
                                organooxygen compound 463
                                  carbohydrates and carbohydrate derivatives 110
                                    carbohydrate 110
                                      oligosaccharide 4
                                        oligosaccharide derivative 0
                                          amino oligosaccharide 0
                                            amino tetrasaccharide 0
                                              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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