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> Main
CHEBI:132617 - triptotriterpenic acid C
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ChEBI Name
triptotriterpenic acid C
ChEBI ID
CHEBI:132617
Definition
A pentacyclic triterpenoid with formula C
30
H
48
O
4
, originally isolated from the roots of
Tripterygium wilfordii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H48O4
Net Charge
0
Average Mass
472.701
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
17-
18(25(33)
34)
16-
23(32)
28(5)
14-
15-
29(6)
19(24(17)
28)
8-
9-
21-
27(4)
12-
11-
22(31)
26(2,3)
20(27)
10-
13-
30(21,29)
7/h8,17-
18,20-
24,31-
32H,9-
16H2,1-
7H3,(H,33,34)
/t17-
,18+,20-
,21+,22-
,23-
,24-
,27-
,28-
,29+,30+/m0/s1
InChIKey
IWVWTVWLRSUYNC-YLOASUEESA-N
SMILES
C1[C@H]
(O)
C([C@@]
2(CC[C@@]
3([C@]
(CC=C4[C@]
3(CC[C@@]
5([C@]
4([C@H]
([C@@H]
(C[C@@H]
5O)
C(O)
=O)
C)
[H]
)
C)
C)
([C@]
2(C1)
C)
[H]
)
C)
[H]
)
(C)
C
Metabolite of Species
Details
Tripterygium wilfordii
(NCBI:txid458696)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
triptotriterpenic acid C (
CHEBI:132617
)
has parent hydride
ursane (
CHEBI:35711
)
triptotriterpenic acid C (
CHEBI:132617
)
has role
plant metabolite (
CHEBI:76924
)
triptotriterpenic acid C (
CHEBI:132617
)
is a
diol (
CHEBI:23824
)
triptotriterpenic acid C (
CHEBI:132617
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
triptotriterpenic acid C (
CHEBI:132617
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3β,22α)-3,22-dihydroxyurs-12-en-30-oic acid
Synonyms
Sources
3β,22α-dihydroxyurs-12-en-30-oic acid
ChEBI
tripterygic acid A
ChEBI
Manual Xref
Database
130072
PubChem
View more database links
Registry Number
Type
Source
9826132
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17221378
PubMed citation
Europe PMC
2816380
PubMed citation
Europe PMC
Last Modified
25 October 2016