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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:stigmastanol
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Accession:CHEBI:89400 term browser browse the term
Definition:A 3-hydroxy steroid that is 5alpha-stigmastane which is substituted at the 3beta position by a hydroxy group.
Synonyms:exact_synonym: (5alpha)-stigmastan-3beta-ol
 related_synonym: (3beta,5alpha)-stigmastan-3-ol;   (3beta,5alpha,20S)-stigmastan-3-ol;   24alpha-ethylcholestanol;   5,6-dihydro-beta-sitosterol;   Formula=C29H52O;   InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1;   InChIKey=LGJMUZUPVCAVPU-HRJGVYIJSA-N;   SMILES=[C@@]12(CC[C@@H](C[C@@]1(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@@](CC[C@H](C(C)C)CC)(C)[H])[H])[H])C)[H])[H])[H])O)C;   dihydrositosterin;   fucostanol;   sitostanol
 xref: CAS:83-45-4;   HMDB:HMDB0000494;   KEGG:C19644;   KNApSAcK:C00032163;   LIPID_MAPS_instance:LMST01040128;   MetaCyc:CPD-8481;   PMID:10517218;   PMID:10539742;   PMID:11060358;   PMID:16331855;   PMID:16487675;   PMID:1730022;   Wikipedia:Stigmastanol

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  CHEBI ontology 2
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                stigmastanol 0
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    subatomic particle 2
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              atomic nucleus 2
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                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        sterol 0
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                                            stigmastanol 0
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