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:70310 - zhankuic acid A methyl ester
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
zhankuic acid A methyl ester
ChEBI ID
CHEBI:70310
Definition
An ergostanoid that is the methyl ester of zhankuic acid A. It has been isolated from the fruiting bodies of
Taiwanofungus camphoratus
.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C30H42O5
Net Charge
0
Average Mass
482.65150
Monoisotopic Mass
482.30322
InChI
InChI=1S/C30H42O5/c1-
16(18(3)
28(34)
35-
7)
8-
9-
17(2)
20-
10-
11-
21-
26-
24(32)
14-
22-
19(4)
23(31)
12-
13-
29(22,5)
27(26)
25(33)
15-
30(20,21)
6/h17-
22H,1,8-
15H2,2-
7H3/t17-
,18?,19+,20-
,21+,22+,29+,30-
/m1/s1
InChIKey
NZJIIJSJLBIJDO-RTMVVRFTSA-N
SMILES
COC(=O)C(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O
Metabolite of Species
Details
Taiwanofungus camphoratus
(NCBI:txid196114)
Found in fruit body
(BTO:0000487)
. Parasitic to the inner heartwood wall of old hollow trunks of Cinnamomum kanehirai, EtOH extract See:
PubMed
Roles Classification
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
zhankuic acid A methyl ester (
CHEBI:70310
)
has functional parent
zhankuic acid A (
CHEBI:66503
)
zhankuic acid A methyl ester (
CHEBI:70310
)
has role
plant metabolite (
CHEBI:76924
)
zhankuic acid A methyl ester (
CHEBI:70310
)
is a
11-oxo steroid (
CHEBI:47787
)
zhankuic acid A methyl ester (
CHEBI:70310
)
is a
3-oxo steroid (
CHEBI:47788
)
zhankuic acid A methyl ester (
CHEBI:70310
)
is a
7-oxo steroid (
CHEBI:47789
)
zhankuic acid A methyl ester (
CHEBI:70310
)
is a
ergostanoid (
CHEBI:50403
)
zhankuic acid A methyl ester (
CHEBI:70310
)
is a
steroid ester (
CHEBI:47880
)
IUPAC Name
methyl (4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate
Registry Number
Type
Source
21087037
Reaxys Registry Number
Reaxys
Citation
Type
Source
21028898
PubMed citation
Europe PMC
Last Modified
26 May 2015