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M  END
> <ID>
CHEBI:1296

> <NAME>
20-hydroxycholesterol

> <DEFINITION>
An oxysterol that is cholesterol substituted by a hydroxy group at position 20.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43170

> <SYNONYM>
20alpha-Hydroxycholesterol; 20-Hydroxycholesterol; 20-hydroxycholesterol; 20(S)-OHC; 20(S)-hydroxycholesterol; (3beta)-cholest-5-ene-3,20-diol; (20S)-20-Hydroxycholesterol

> <IUPAC_NAME>
cholest-5-ene-3beta,20-diol

> <FORMULA>
C27H46O2

> <MASS>
402.654

> <MONOISOTOPIC_MASS>
402.34978

> <CHARGE>
0

> <SMILES>
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@](C)(CCCC(C)C)O)[H])[H])C)[H])C

> <INCHI>
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

> <INCHIKEY>
MCKLJFJEQRYRQT-APGJSSKUSA-N

> <CAS_REGISTRY_NUMBER>
516-72-3

> <REAXYS_REGISTRY_NUMBER>
2062337

> <CHEMIDPLUS>
516-72-3

> <DRUGBANK_ACCESSION>
DB04704

> <KEGG_COMPOUND_ACCESSION>
C05500

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST01010201

> <METACYC_ACCESSION>
2-HYDROXY-CHOLESTEROL

> <PDBECHEM_ACCESSION>
HC2

> <PUBMED_CITATION>
1270422; 17200122; 17638575; 19839776; 20683129; 22231273; 23831757; 24596093; 25523141; 25765115; 26902390; 6042125; 7392630

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