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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 24387
    role 24297
      biological role 24264
        osmolyte 2025
          glycerol 1749
            glycerolipid 265
              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 24387
    subatomic particle 24344
      composite particle 24344
        hadron 24344
          baryon 24344
            nucleon 24344
              atomic nucleus 24344
                atom 24344
                  main group element atom 24191
                    p-block element atom 24191
                      carbon group element atom 23974
                        carbon atom 23934
                          organic molecular entity 23934
                            heteroorganic entity 23280
                              organochalcogen compound 22775
                                organooxygen compound 22612
                                  carbohydrates and carbohydrate derivatives 13068
                                    carbohydrate 13068
                                      oligosaccharide 523
                                        oligosaccharide derivative 129
                                          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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