Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:50593 - 3-dehydro-4-methylzymosterol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-dehydro-4-methylzymosterol
ChEBI ID
CHEBI:50593
Definition
A 3-oxo-5α- steroid that is zymosterol which has been substituted by a methyl group at C-4, and in which the 3-hydroxy function has been oxidised to an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C28H44O
Net Charge
0
Average Mass
396.64836
Monoisotopic Mass
396.33922
InChI
InChI=1S/C28H44O/c1-
18(2)
8-
7-
9-
19(3)
22-
12-
13-
24-
21-
10-
11-
23-
20(4)
26(29)
15-
17-
28(23,6)
25(21)
14-
16-
27(22,24)
5/h8,19-
20,22-
24H,7,9-
17H2,1-
6H3/t19-
,20?,22-
,23+,24+,27-
,28+/m1/s1
InChIKey
DBPZYKHQDWKORQ-MWEYQPRESA-N
SMILES
[H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
has functional parent
zymosterol (
CHEBI:18252
)
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
has role
human metabolite (
CHEBI:77746
)
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
has role
mouse metabolite (
CHEBI:75771
)
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
is a
3-oxo-5α-steroid (
CHEBI:13601
)
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
is a
cholestanoid (
CHEBI:50401
)
Incoming
3-dehydro-4α-methylzymosterol (
CHEBI:136486
)
is a
3-dehydro-4-methylzymosterol (
CHEBI:50593
)
IUPAC Name
4-methyl-5α-cholesta-8,24-dien-3-one
Synonyms
Sources
(5α)-4-methylcholesta-8,24-dien-3-one
ChEBI
3-dehydro-4-methylzymosterol
UniProt
3-Keto-4-methylzymosterol
KEGG COMPOUND
4-methyl-5α-cholesta-8(9),24-dien-3-one
ChEBI
Manual Xref
Database
C15816
KEGG COMPOUND
View more database links
Last Modified
16 July 2021