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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:38154 - (
S
,
S
,
S
)-avenic acid A
Main
ChEBI Ontology
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ChEBI Name
(
S
,
S
,
S
)-avenic acid A
ChEBI ID
CHEBI:38154
ChEBI ASCII Name
(S,S,S)-avenic acid A
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H22N2O8
Net Charge
0
Average Mass
322.31176
Monoisotopic Mass
322.13762
InChI
InChI=1S/C12H22N2O8/c15-
6-
3-
8(11(19)
20)
13-
4-
1-
7(10(17)
18)
14-
5-
2-
9(16)
12(21)
22/h7-
9,13-
16H,1-
6H2,(H,17,18)
(H,19,20)
(H,21,22)
/t7-
,8-
,9-
/m0/s1
InChIKey
QUKMQOBHQMWLLR-CIUDSAMLSA-N
SMILES
OCC[C@H](NCC[C@H](NCC[C@H](O)C(O)=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
phytosiderophore
Any of low-molecular-mass iron(
3
)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
iron(3+) chelator
(via
avenic acid A
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
phytosiderophore
Any of low-molecular-mass iron(
3
)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
,
S
,
S
)-avenic acid A (
CHEBI:38154
)
has role
phytosiderophore (
CHEBI:38155
)
(
S
,
S
,
S
)-avenic acid A (
CHEBI:38154
)
is a
avenic acid A (
CHEBI:22678
)
(
S
,
S
,
S
)-avenic acid A (
CHEBI:38154
)
is enantiomer of
(
R
,
R
,
R
)-avenic acid A (
CHEBI:38153
)
Incoming
(
R
,
R
,
R
)-avenic acid A (
CHEBI:38153
)
is enantiomer of
(
S
,
S
,
S
)-avenic acid A (
CHEBI:38154
)
IUPAC Name
N
-
[(3
S
)-
3-
carboxy-
3-
{[(3
S
)-
3-
carboxy-
3-
hydroxypropyl]amino}propyl]-
L
-
homoserine
Registry Numbers
Types
Sources
5298479
Beilstein Registry Number
Beilstein
5298480
Beilstein Registry Number
Beilstein
Last Modified
25 April 2007