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ChEBI
> Main
CHEBI:133832 - fumonisin B
4
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ChEBI Name
fumonisin B
4
ChEBI ID
CHEBI:133832
ChEBI ASCII Name
fumonisin B4
Definition
A fumonisin that is fumonisin B
2
that is lacking hydroxy group located γ- to the amino substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
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Formula
C34H59NO13
Net Charge
0
Average Mass
689.832
Monoisotopic Mass
689.39864
InChI
InChI=1S/C34H59NO13/c1-
5-
6-
14-
22(3)
32(48-
31(42)
20-
25(34(45)
46)
18-
29(39)
40)
27(47-
30(41)
19-
24(33(43)
44)
17-
28(37)
38)
16-
21(2)
13-
11-
9-
7-
8-
10-
12-
15-
26(36)
23(4)
35/h21-
27,32,36H,5-
20,35H2,1-
4H3,(H,37,38)
(H,39,40)
(H,43,44)
(H,45,46)
/t21-
,22+,23-
,24+,25+,26-
,27-
,32+/m0/s1
InChIKey
WYYKRDVIBOEORL-JLCKPESSSA-N
SMILES
CCCC[C@H]
([C@H]
([C@H]
(C[C@H]
(CCCCCCCC[C@@H]
([C@H]
(C)
N)
O)
C)
OC(C[C@@H]
(CC(=O)
O)
C(=O)
O)
=O)
OC(=O)
C[C@@H]
(CC(O)
=O)
C(=O)
O)
C
Metabolite of Species
Details
Aspergillus niger
(NCBI:txid5061)
From Aspergillus niger on grapes and raisins. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
mycotoxin
Poisonous substance produced by fungi.
(via
fumonisin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
fumonisin B
4
(
CHEBI:133832
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
fumonisin B
4
(
CHEBI:133832
)
is a
diester (
CHEBI:51307
)
fumonisin B
4
(
CHEBI:133832
)
is a
fumonisin (
CHEBI:38224
)
fumonisin B
4
(
CHEBI:133832
)
is a
primary amino compound (
CHEBI:50994
)
fumonisin B
4
(
CHEBI:133832
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(2
R
,2'
R
)-
2,2'-
{[(5
R
,6
R
,7
S
,9
S
,18
S
,19
S
)-
19-
amino-
18-
hydroxy-
5,9-
dimethylicosane-
6,7-
diyl]bis[oxy(2-
oxoethane-
2,1-
diyl)]}disuccinic acid
Synonym
Source
fumonisin B4
ChEBI
Registry Numbers
Types
Sources
136379-60-7
CAS Registry Number
ChemIDplus
19781280
Reaxys Registry Number
Reaxys
Last Modified
28 November 2016