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> Main
CHEBI:132616 - triptotriterpenic acid B
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ChEBI Name
triptotriterpenic acid B
ChEBI ID
CHEBI:132616
Definition
A pentacyclic triterpenoid with formula C
30
H
48
O
4
, originally isolated from
Tripterygium hypoglaucum
.
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-
25(2)
20-
10-
13-
30(7)
21(28(20,5)
12-
11-
22(25)
31)
9-
8-
18-
19-
16-
26(3,24(33)
34)
17-
23(32)
27(19,4)
14-
15-
29(18,30)
6/h8,19-
23,31-
32H,9-
17H2,1-
7H3,(H,33,34)
/t19-
,20-
,21+,22-
,23+,26+,27+,28-
,29+,30+/m0/s1
InChIKey
JTBGJQZJEYVBJZ-UZUOTXETSA-N
SMILES
C1[C@H]
(O)
C([C@@]
2(CC[C@@]
3([C@]
(CC=C4[C@]
3(CC[C@@]
5([C@]
4(C[C@]
(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 hypoglaucum
(NCBI:txid205465)
See:
PubMed
Abrus precatorius
(NCBI:txid3816)
Found in stem
(BTO:0001300)
. See:
PubMed
Abrus precatorius
(NCBI:txid3816)
Found in leaf
(BTO:0000713)
. 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 B (
CHEBI:132616
)
has parent hydride
oleanane (
CHEBI:36481
)
triptotriterpenic acid B (
CHEBI:132616
)
has role
plant metabolite (
CHEBI:76924
)
triptotriterpenic acid B (
CHEBI:132616
)
is a
diol (
CHEBI:23824
)
triptotriterpenic acid B (
CHEBI:132616
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
triptotriterpenic acid B (
CHEBI:132616
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3β,22β)-3,22-dihydroxyolean-12-en-30-oic acid
Synonym
Source
3β,22β-dihydroxyolean-12-en-30-oic acid
ChemIDplus
Manual Xref
Database
195563
PubChem
View more database links
Registry Number
Type
Source
5857674
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22210168
PubMed citation
Europe PMC
2534610
PubMed citation
Europe PMC
Last Modified
24 October 2016