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ChEBI
> Main
CHEBI:72308 - globostellatic acid C
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ChEBI Ontology
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ChEBI Name
globostellatic acid C
ChEBI ID
CHEBI:72308
Definition
A tricyclic triterpenoid of the isomalabaricane group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C33H48O7
Net Charge
0
Average Mass
556.73000
Monoisotopic Mass
556.34000
InChI
InChI=1S/C33H48O7/c1-
20(13-
14-
26(39-
9)
30(4,5)
38)
11-
10-
12-
21(2)
28-
23(35)
19-
25-
31(6)
18-
16-
27(40-
22(3)
34)
33(8,29(36)
37)
24(31)
15-
17-
32(25,28)
7/h10-
14,24-
27,38H,15-
19H2,1-
9H3,(H,36,37)
/b12-
10+,14-
13+,20-
11+,28-
21+/t24-
,25+,26?,27-
,31+,32+,33-
/m1/s1
InChIKey
DIBFODPMNNITET-MYCFXNEXSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3(C)
[C@@]
([H]
)
(CC(=O)
\C3=C(C)
/C=C/C=C(C)
/C=C/C(OC)
C(C)
(C)
O)
[C@@]
1(C)
CC[C@@H]
(OC(C)
=O)
[C@]
2(C)
C(O)
=O
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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
globostellatic acid C (
CHEBI:72308
)
has role
antineoplastic agent (
CHEBI:35610
)
globostellatic acid C (
CHEBI:72308
)
has role
metabolite (
CHEBI:25212
)
globostellatic acid C (
CHEBI:72308
)
is a
acetate ester (
CHEBI:47622
)
globostellatic acid C (
CHEBI:72308
)
is a
enone (
CHEBI:51689
)
globostellatic acid C (
CHEBI:72308
)
is a
ether (
CHEBI:25698
)
globostellatic acid C (
CHEBI:72308
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
globostellatic acid C (
CHEBI:72308
)
is a
tricyclic triterpenoid (
CHEBI:52340
)
globostellatic acid C (
CHEBI:72308
)
is conjugate acid of
globostellatate C(1−) (
CHEBI:72306
)
Incoming
globostellatate C(1−) (
CHEBI:72306
)
is conjugate base of
globostellatic acid C (
CHEBI:72308
)
IUPAC Name
(3
Z
,3a
S
,5a
R
,6
R
,7
R
,9a
R
,9b
S
)-
7-
(acetyloxy)-
3-
[(3
E
,5
E
,7
E
)-
10-
hydroxy-
9-
methoxy-
6,10-
dimethylundeca-
3,5,7-
trien-
2-
ylidene]-
3a,6,9a-
trimethyl-
2-
oxododecahydro-
1
H
-
cyclopenta[
a
]naphthalene-
6-
carboxylic acid
Last Modified
08 February 2013