CHEBI:16455 - 4,4-dimethyl-5α-cholest-7-en-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4-dimethyl-5α-cholest-7-en-3β-ol
ChEBI ID CHEBI:16455
ChEBI ASCII Name 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
Definition A cholestanoid that is 5α-cholest-7-ene substituted by a β-hydroxy group at position 3 and two methyl groups at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11919, CHEBI:1742, CHEBI:20266
Supplier Information
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Formula C29H50O
Net Charge 0
Average Mass 414.70670
Monoisotopic Mass 414.386
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
InChIKey UVNXFLZMQCAWCP-RCTKLBHESA-N
SMILES [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing 4,4-dimethyl-5α-cholest-7-en-3β-ol (CHEBI:16455) has parent hydride 5α-cholest-7-ene (CHEBI:35865)
4,4-dimethyl-5α-cholest-7-en-3β-ol (CHEBI:16455) is a 3β-sterol (CHEBI:35348)
4,4-dimethyl-5α-cholest-7-en-3β-ol (CHEBI:16455) is a cholestanoid (CHEBI:50401)
IUPAC Name
4,4-dimethyl-5α-cholest-7-en-3β-ol
Synonyms Sources
4,4-dimethyl-5alpha-cholest-7-en-3beta-ol ChEBI
4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol KEGG COMPOUND
4,4-dimethyl-5α-cholest-7-en-3β-ol UniProt
Manual Xref Database
C04530 KEGG COMPOUND
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Last Modified
03 August 2015