Terminology Service for NFDI4Health
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5alpha-cholestan-3-one

Go to external page http://purl.obolibrary.org/obo/CHEBI_17762

A 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3.

Term info

Label

5alpha-cholestan-3-one

Synonyms
  • 5alpha-Cholestan-3-one
  • 5alpha-cholestan-3-one
database cross reference
Subsets

3_STAR

IUPAC NAME
5alpha-cholestan-3-one [ IUPAC ]

charge

0

formula

C27H46O

has alternative id

CHEBI:2141, CHEBI:20647, CHEBI:12173

has obo namespace

chebi_ontology

id

CHEBI:17762

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/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

PESKGJQREUXSRR-UXIWKSIVSA-N

mass

386.65354

monoisotopicmass

386.35487

smiles

[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2