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:89400 - stigmastanol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
stigmastanol
ChEBI ID
CHEBI:89400
Definition
A 3-hydroxy steroid that is 5α-stigmastane which is substituted at the 3β position by a hydroxy 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
Wikipedia
License
Read full article at Wikipedia
Formula
C29H52O
Net Charge
0
Average Mass
416.724
Monoisotopic Mass
416.40182
InChI
InChI=1S/C29H52O/c1-
7-
21(19(2)
3)
9-
8-
20(4)
25-
12-
13-
26-
24-
11-
10-
22-
18-
23(30)
14-
16-
28(22,5)
27(24)
15-
17-
29(25,26)
6/h19-
27,30H,7-
18H2,1-
6H3/t20-
,21-
,22+,23+,24+,25-
,26+,27+,28+,29-
/m1/s1
InChIKey
LGJMUZUPVCAVPU-HRJGVYIJSA-N
SMILES
[C@@]
12(CC[C@@H]
(C[C@@]
1(CC[C@@]
3([C@@]
2(CC[C@]
4([C@]
3(CC[C@@]
4([C@@]
(CC[C@H]
(C(C)
C)
CC)
(C)
[H]
)
[H]
)
[H]
)
C)
[H]
)
[H]
)
[H]
)
O)
C
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
anticholesteremic drug
A substance used to lower plasma cholesterol levels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
stigmastanol (
CHEBI:89400
)
has parent hydride
5α-stigmastane (
CHEBI:20658
)
stigmastanol (
CHEBI:89400
)
has role
anticholesteremic drug (
CHEBI:35821
)
stigmastanol (
CHEBI:89400
)
has role
plant metabolite (
CHEBI:76924
)
stigmastanol (
CHEBI:89400
)
is a
3-hydroxy steroid (
CHEBI:36834
)
stigmastanol (
CHEBI:89400
)
is a
phytosterols (
CHEBI:26125
)
IUPAC Name
(5α)-stigmastan-3β-ol
Synonyms
Sources
(3β,5α)-stigmastan-3-ol
IUPAC
(3β,5α,20
S
)-stigmastan-3-ol
IUPAC
24α-ethylcholestanol
ChemIDplus
5,6-dihydro-β-sitosterol
ChemIDplus
dihydrositosterin
ChemIDplus
fucostanol
ChemIDplus
sitostanol
ChemIDplus
Manual Xrefs
Databases
C00032163
KNApSAcK
C19644
KEGG COMPOUND
CPD-8481
MetaCyc
HMDB0000494
HMDB
LMST01040128
LIPID MAPS
Stigmastanol
Wikipedia
View more database links
Registry Numbers
Types
Sources
83-45-4
CAS Registry Number
KEGG COMPOUND
83-45-4
CAS Registry Number
NIST Chemistry WebBook
83-45-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10517218
PubMed citation
Europe PMC
10539742
PubMed citation
Europe PMC
11060358
PubMed citation
Europe PMC
16331855
PubMed citation
Europe PMC
16487675
PubMed citation
Europe PMC
1730022
PubMed citation
Europe PMC
Last Modified
19 January 2016