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:132373 - mesembryanthemoidigenic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
mesembryanthemoidigenic acid
ChEBI ID
CHEBI:132373
Definition
A pentacyclic triterpenoid with formula C
30
H
48
O
4
, originally isolated from
Akebia quinata
and
Stauntonia hexaphylla
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
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
C30H48O4
Net Charge
0
Average Mass
472.701
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
25(2)
21-
9-
12-
29(6)
22(27(21,4)
11-
10-
23(25)
32)
8-
7-
19-
20-
17-
26(3,18-
31)
13-
15-
30(20,24(33)
34)
16-
14-
28(19,29)
5/h7,20-
23,31-
32H,8-
18H2,1-
6H3,(H,33,34)
/t20-
,21-
,22+,23-
,26+,27-
,28+,29+,30-
/m0/s1
InChIKey
CZWBKSDPBWNHGO-DPJNYECVSA-N
SMILES
[C@@]
12(C([C@@]
3(C[C@@]
(CO)
(C)
CC[C@@]
3(CC1)
C(=O)
O)
[H]
)
=CC[C@@]
4([C@]
5(CC[C@@H]
(C([C@@]
5(CC[C@@]
24C)
[H]
)
(C)
C)
O)
C)
[H]
)
C
Metabolite of Species
Details
Akebia quinata
(NCBI:txid13331)
See: Journal of Natural Products, 52, (1989), 623
Akebia trifoliata
(NCBI:txid155132)
Found in pericarp
(BTO:0001017)
. See:
PubMed
Stauntonia hexaphylla
(NCBI:txid41788)
See: Journal of Natural Products, 52, (1989), 623
Hebanthe paniculata
(NCBI:txid451948)
Found in root
(BTO:0001188)
. See:
PubMed
Eleutherococcus senticosus
(NCBI:txid82096)
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
mesembryanthemoidigenic acid (
CHEBI:132373
)
has parent hydride
oleanane (
CHEBI:36481
)
mesembryanthemoidigenic acid (
CHEBI:132373
)
has role
plant metabolite (
CHEBI:76924
)
mesembryanthemoidigenic acid (
CHEBI:132373
)
is a
diol (
CHEBI:23824
)
mesembryanthemoidigenic acid (
CHEBI:132373
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
mesembryanthemoidigenic acid (
CHEBI:132373
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3β)-3,29-dihydroxyolean-12-en-28-oic acid
Synonyms
Sources
3β,29-dihydroxyolean-12-en-28-oic acid
ChEBI
3beta,29-Dihydroxyolean-12-en-28-oic acid
ChemIDplus
AC1O54QP
SUBMITTER
Manual Xref
Database
C00051540
KNApSAcK
View more database links
Registry Numbers
Types
Sources
4871-87-8
CAS Registry Number
ChemIDplus
5648330
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17125224
PubMed citation
Europe PMC
19941264
PubMed citation
Europe PMC
25172756
PubMed citation
Europe PMC
Last Modified
25 October 2016