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:67594 - stigmast-5-ene-3β,7α-diol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
stigmast-5-ene-3β,7α-diol
ChEBI ID
CHEBI:67594
ChEBI ASCII Name
stigmast-5-ene-3beta,7alpha-diol
Definition
A 3β-hydroxy steroid that is sitosterol substituted by an additional α-hydroxy group at position 7. It has been isolated from the roots of
Breynia fruticosa
.
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
C29H50O2
Net Charge
0
Average Mass
430.70610
Monoisotopic Mass
430.38108
InChI
InChI=1S/C29H50O2/c1-
7-
20(18(2)
3)
9-
8-
19(4)
23-
10-
11-
24-
27-
25(13-
15-
29(23,24)
6)
28(5)
14-
12-
22(30)
16-
21(28)
17-
26(27)
31/h17-
20,22-
27,30-
31H,7-
16H2,1-
6H3/t19-
,20-
,22+,23-
,24+,25+,26-
,27+,28+,29-
/m1/s1
InChIKey
SXJVFYZNUGGHRG-GDDJFQTCSA-N
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Metabolite of Species
Details
Breynia fruticosa
(NCBI:txid296042)
Found in root
(BTO:0001188)
. 90% Methanolic extract of air-dried, crushed roots. See:
PubMed
Melia toosendan
(NCBI:txid71608)
Found in fruit
(BTO:0000486)
. 95% ethanolic extract of dried fruits See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
has functional parent
sitosterol (
CHEBI:27693
)
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
has parent hydride
stigmastane (
CHEBI:26773
)
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
has role
metabolite (
CHEBI:25212
)
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
has role
plant metabolite (
CHEBI:76924
)
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
stigmast-5-ene-3β,7α-diol (
CHEBI:67594
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
IUPAC Name
(3β,7α)-stigmast-5-ene-3,7-diol
Synonym
Source
Hydroxysitosterol
ChemIDplus
Registry Numbers
Types
Sources
34427-61-7
CAS Registry Number
ChemIDplus
7001765
Reaxys Registry Number
Reaxys
Citation
Type
Source
21428418
PubMed citation
Europe PMC
Last Modified
25 April 2017