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:145044 - pregnenolone 3-β-
D
-glucoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
pregnenolone 3-β-
D
-glucoside
ChEBI ID
CHEBI:145044
ChEBI ASCII Name
pregnenolone 3-beta-D-glucoside
Definition
A sterol 3-β-
D
-glucoside in which the sterol is 3β-hydroxypregn-5-en-20-one.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C27H42O7
Net Charge
0
Average Mass
478.626
Monoisotopic Mass
478.29305
InChI
InChI=1S/C27H42O7/c1-
14(29)
18-
6-
7-
19-
17-
5-
4-
15-
12-
16(8-
10-
26(15,2)
20(17)
9-
11-
27(18,19)
3)
33-
25-
24(32)
23(31)
22(30)
21(13-
28)
34-
25/h4,16-
25,28,30-
32H,5-
13H2,1-
3H3/t16-
,17-
,18+,19-
,20-
,21+,22+,23-
,24+,25+,26-
,27+/m0/s1
InChIKey
KCBQUTGDLFZEIG-KNSPFVISSA-N
SMILES
C1[C@@]
2([C@]
3(CC[C@]
4(C)
[C@@H]
(C(C)
=O)
CC[C@]
4([C@@]
3(CC=C2C[C@H]
(C1)
O[C@H]
5[C@@H]
([C@H]
([C@@H]
([C@H]
(O5)
CO)
O)
O)
O)
[H]
)
[H]
)
[H]
)
C
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.
(via
saponin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pregnenolone 3-β-
D
-glucoside (
CHEBI:145044
)
has functional parent
pregnenolone (
CHEBI:16581
)
pregnenolone 3-β-
D
-glucoside (
CHEBI:145044
)
is a
20-oxo steroid (
CHEBI:36885
)
pregnenolone 3-β-
D
-glucoside (
CHEBI:145044
)
is a
monosaccharide derivative (
CHEBI:63367
)
pregnenolone 3-β-
D
-glucoside (
CHEBI:145044
)
is a
sterol 3-β-
D
-glucoside (
CHEBI:37424
)
IUPAC Name
20-oxopregn-5-en-3β-yl β-
D
-glucopyranoside
Synonyms
Sources
pregnenolone 3-β-
D
-glucoside
UniProt
pregnenolone β-
D
-glucopyranoside
ChEBI
pregnenolone β-
D
-glucoside
ChEBI
Citation
Type
Source
25888493
PubMed citation
SUBMITTER
Last Modified
23 October 2019