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 30 31  1  0     0  0
M  END
> <ID>
CHEBI:16113

> <NAME>
cholesterol

> <DEFINITION>
A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3β-hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41564; CHEBI:3659; CHEBI:13982; CHEBI:23204

> <SYNONYM>
cholesterol; CHOLESTEROL; Cholesterol; Cholesterin; Cholest-5-en-3beta-ol; (3beta,14beta,17alpha)-cholest-5-en-3-ol

> <IUPAC_NAME>
cholest-5-en-3beta-ol

> <FORMULA>
C27H46O

> <MASS>
386.655

> <MONOISOTOPIC_MASS>
386.35487

> <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@H](C)CCCC(C)C)[H])[H])C)[H])C

> <INCHI>
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <INCHIKEY>
HVYWMOMLDIMFJA-DPAQBDIFSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2060565

> <CAS_REGISTRY_NUMBER>
57-88-5

> <GMELIN_REGISTRY_NUMBER>
550297

> <REAXYS_REGISTRY_NUMBER>
2060565

> <CHEMIDPLUS>
57-88-5

> <DRUGBANK_ACCESSION>
DB04540

> <KEGG_COMPOUND_ACCESSION>
C00187

> <KEGG_DRUG_ACCESSION>
D00040

> <KNAPSACK_ACCESSION>
C00003648

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST01010001

> <METACYC_ACCESSION>
CHOLESTEROL

> <NIST_CHEMISTRY_WEBBOOK>
57-88-5

> <PDBECHEM_ACCESSION>
CLR

> <WIKIPEDIA_ACCESSION>
Cholesterol

> <PUBMED_CITATION>
10901445; 11412894; 16341241; 24287311; 25308664; 25451949; 25522988; 25658343; 25977713; 4696527; 8838010

$$$$