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> Main
CHEBI:87838 - iso-precytochalasin
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ChEBI Name
iso-precytochalasin
ChEBI ID
CHEBI:87838
Definition
A cytochalasan alkaloid found in
Aspergillus clavatus
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
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Formula
C28H33NO4
Net Charge
0
Average Mass
447.575
Monoisotopic Mass
447.24096
InChI
InChI=1S/C28H33NO4/c1-
17-
9-
8-
12-
22-
15-
19(3)
20(4)
25-
23(16-
21-
10-
6-
5-
7-
11-
21)
29-
27(32)
28(22,25)
33-
24(30)
14-
13-
18(2)
26(17)
31/h5-
8,10-
13,15,17,20,22-
23,25H,9,14,16H2,1-
4H3,(H,29,32)
/b12-
8+,18-
13+/t17-
,20+,22-
,23-
,25-
,28+/m0/s1
InChIKey
WVTWBOYGCFLJLV-JDQBXGEPSA-N
SMILES
[H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)C\C=C(C)\C(=O)[C@@H](C)C\C=C\[C@H]1C=C(C)[C@H]2C
Metabolite of Species
Details
Aspergillus clavatus
(NCBI:txid5057)
See:
PubMed
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via
cytochalasan alkaloid
)
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
iso-precytochalasin (
CHEBI:87838
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
iso-precytochalasin (
CHEBI:87838
)
is a
γ-lactam (
CHEBI:74222
)
iso-precytochalasin (
CHEBI:87838
)
is a
cyclic ketone (
CHEBI:3992
)
iso-precytochalasin (
CHEBI:87838
)
is a
cytochalasan alkaloid (
CHEBI:75946
)
iso-precytochalasin (
CHEBI:87838
)
is a
enone (
CHEBI:51689
)
iso-precytochalasin (
CHEBI:87838
)
is a
macrolide (
CHEBI:25106
)
iso-precytochalasin (
CHEBI:87838
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
IUPAC Name
(4
E
,7
S
,9
E
,10a
S
,13
S
,13a
S
,14
S
,16a
R
)-
14-
benzyl-
5,7,12,13-
tetramethyl-
8,10a,13,13a,14,15-
hexahydro-
2
H
-
oxacyclododecino[2,3-
d
]isoindole-
2,6,16(3
H
,7
H
)-
trione
Synonyms
Sources
iso-precytochalasin
UniProt
isoprecytochalasin
ChEBI
Registry Number
Type
Source
27722606
Reaxys Registry Number
Reaxys
Citation
Type
Source
24838010
PubMed citation
SUBMITTER
Last Modified
03 August 2020