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ChEBI
> Main
CHEBI:15574 - nuatigenin
Main
ChEBI Ontology
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ChEBI Name
nuatigenin
ChEBI ID
CHEBI:15574
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:174, CHEBI:10850, CHEBI:7646, CHEBI:18529, CHEBI:57419
Supplier Information
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Formula
C27H42O4
Net Charge
0
Average Mass
430.61998
Monoisotopic Mass
430.30831
InChI
InChI=1S/C27H42O4/c1-
16-
23-
22(30-
27(16)
12-
11-
24(2,15-
28)
31-
27)
14-
21-
19-
6-
5-
17-
13-
18(29)
7-
9-
25(17,3)
20(19)
8-
10-
26(21,23)
4/h5,16,18-
23,28-
29H,6-
15H2,1-
4H3/t16-
,18-
,19+,20-
,21-
,22-
,23-
,24-
,25-
,26-
,27-
/m0/s1
InChIKey
NELZMZLNTYWIPD-MLBSDYKWSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
[C@]
4([H]
)
CC=C5C[C@@H]
(O)
CC[C@]
5(C)
[C@@]
4([H]
)
CC[C@]
3(C)
[C@@]
1([H]
)
[C@H]
(C)
[C@@]
1(CC[C@@]
(C)
(CO)
O1)
O2
ChEBI Ontology
Outgoing
nuatigenin (
CHEBI:15574
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
nuatigenin (
CHEBI:15574
)
is a
sapogenin (
CHEBI:26606
)
Incoming
26-desglucoavenacoside A (
CHEBI:75932
)
has functional parent
nuatigenin (
CHEBI:15574
)
26-desglucoavenacoside B (
CHEBI:75931
)
has functional parent
nuatigenin (
CHEBI:15574
)
avenacoside A (
CHEBI:2937
)
has functional parent
nuatigenin (
CHEBI:15574
)
avenacoside B (
CHEBI:2938
)
has functional parent
nuatigenin (
CHEBI:15574
)
nuatigenin 3-β-
D
-glucopyranoside (
CHEBI:15575
)
has functional parent
nuatigenin (
CHEBI:15574
)
IUPAC Name
(22
S
,25
S
)-22,25-epoxyfurost-5-ene-3β,26-diol
Synonyms
Sources
(20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol
ChEBI
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol
KEGG COMPOUND
nuatigenin
UniProt
Nuatigenin
KEGG COMPOUND
Manual Xrefs
Databases
C00003581
KNApSAcK
C04715
KEGG COMPOUND
LMST01090001
LIPID MAPS
View more database links
Registry Number
Type
Source
6811-35-4
CAS Registry Number
KEGG COMPOUND
Last Modified
25 April 2017