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:2880 - asperlicin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
asperlicin
ChEBI ID
CHEBI:2880
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C31H29N5O4
Net Charge
0
Average Mass
535.594
Monoisotopic Mass
535.22195
InChI
InChI=1S/C31H29N5O4/c1-
17(2)
15-
22-
29(39)
36-
25-
14-
8-
5-
11-
20(25)
31(40,30(36)
34-
22)
16-
23-
26-
32-
21-
12-
6-
3-
9-
18(21)
28(38)
35(26)
24-
13-
7-
4-
10-
19(24)
27(37)
33-
23/h3-
14,17,22-
23,30,34,40H,15-
16H2,1-
2H3,(H,33,37)
/t22-
,23-
,30?,31?/m0/s1
InChIKey
MGMRIOLWEROPJY-FEMCMSFOSA-N
SMILES
C=1C=CC2=C(C1)C(N3C=4C=CC=CC4C(N[C@H](C3=N2)CC5(C=6C=CC=CC6N7C5N[C@](C7=O)(CC(C)C)[H])O)=O)=O
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
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
asperlicin (
CHEBI:2880
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
asperlicin (
CHEBI:2880
)
is a
asperlicins (
CHEBI:91003
)
asperlicin (
CHEBI:2880
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
Synonym
Source
Asperlicin
KEGG COMPOUND
Manual Xrefs
Databases
Asperlicin
Wikipedia
C00017731
KNApSAcK
C11688
KEGG COMPOUND
View more database links
Registry Number
Type
Source
93413-04-8
CAS Registry Number
KEGG COMPOUND
Last Modified
27 January 2016