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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:cholesteryl hemisuccinate
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Accession:CHEBI:138742 term browser browse the term
Definition:A dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology.
Synonyms:exact_synonym: 4-[(3beta)-cholest-5-en-3-yloxy]-4-oxobutanoic acid
 related_synonym: 3beta-hydroxy-5-cholestene 3-hemisuccinate;   4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid;   Formula=C31H50O4;   InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1;   InChIKey=WLNARFZDISHUGS-MIXBDBMTSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)OC(=O)CCC(O)=O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C;   cholest-5-en-3beta-yl hydrogen succinate;   cholesteryl succinate
 xref: CAS:1510-21-0;   PDBeChem:Y01;   PMID:18302031;   PMID:24526383;   PMID:25450348;   PMID:9067481;   PMID:9858729;   Reaxys:3181155


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  CHEBI ontology 19816
    role 19764
      application 19426
        detergent 2288
          cholesteryl hemisuccinate 0
Path 2
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      dicarboxylic acids and O-substituted derivatives 10279
                                        dicarboxylic acid 10272
                                          alpha,omega-dicarboxylic acid 2777
                                            succinic acid 219
                                              succinate ester 110
                                                hemisuccinate 106
                                                  cholesteryl hemisuccinate 0
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