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> Main
CHEBI:67591 - zizyberanalic acid
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ChEBI Name
zizyberanalic acid
ChEBI ID
CHEBI:67591
Definition
A steroid acid isolated from the roots of
Breynia fruticosa
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H46O4
Net Charge
0
Average Mass
470.68380
Monoisotopic Mass
470.33961
InChI
InChI=1S/C30H46O4/c1-
17(2)
18-
10-
13-
30(25(33)
34)
15-
14-
27(5)
19(23(18)
30)
8-
9-
22-
28(27,6)
12-
11-
21-
26(3,4)
24(32)
20(16-
31)
29(21,22)
7/h16,18-
24,32H,1,8-
15H2,2-
7H3,(H,33,34)
/t18-
,19+,20+,21-
,22-
,23+,24+,27+,28+,29-
,30-
/m0/s1
InChIKey
SLWJVQQNDGLXTK-IMBMMKFRSA-N
SMILES
CC(=C)
[C@@H]
1CC[C@@]
2(CC[C@]
3(C)
[C@H]
(CC[C@@H]
4[C@@]
5(C)
[C@H]
(C=O)
[C@@H]
(O)
C(C)
(C)
[C@@H]
5CC[C@@]
34C)
[C@@H]
12)
C(O)
=O
Metabolite of Species
Details
Breynia fruticosa
(NCBI:txid296042)
Found in root
(BTO:0001188)
. 90% Methanolic extract of air-dried, crushed roots. 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
zizyberanalic acid (
CHEBI:67591
)
has role
plant metabolite (
CHEBI:76924
)
zizyberanalic acid (
CHEBI:67591
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
zizyberanalic acid (
CHEBI:67591
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
zizyberanalic acid (
CHEBI:67591
)
is a
steroid acid (
CHEBI:47891
)
zizyberanalic acid (
CHEBI:67591
)
is a
steroid aldehyde (
CHEBI:131565
)
IUPAC Name
(1
R
,3a
S
,5a
R
,5b
R
,7a
R
,9
R
,10
S
,10a
R
,10b
R
,12a
R
,12b
R
)-
10-
formyl-
9-
hydroxy-
5a,5b,8,8,10a-
pentamethyl-
1-
(prop-
1-
en-
2-
yl)octadecahydrodicyclopenta[
a,i
]phenanthrene-
3a(1
H
)-
carboxylic acid
Synonym
Source
Colubrinic acid
HMDB
Manual Xref
Database
HMDB0036847
HMDB
View more database links
Registry Number
Type
Source
6988830
Reaxys Registry Number
Reaxys
Citation
Type
Source
21428418
PubMed citation
Europe PMC
Last Modified
17 March 2016