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> Main
CHEBI:30449 - validamine
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ChEBI Name
validamine
ChEBI ID
CHEBI:30449
Definition
An amino cyclitol consisting of 1
D
-
chiro
-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C7H15NO4
Net Charge
0
Average Mass
177.19830
Monoisotopic Mass
177.10011
InChI
InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey
GSQYAWMREAXBHF-UOYQFSTFSA-N
SMILES
N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing
validamine (
CHEBI:30449
)
has functional parent
1
D
-
chiro
-inositol (
CHEBI:27372
)
validamine (
CHEBI:30449
)
is a
amino cyclitol (
CHEBI:61689
)
Incoming
validamine 7-phosphate (
CHEBI:131930
)
has functional parent
validamine (
CHEBI:30449
)
validoxylamine A (
CHEBI:131941
)
has functional parent
validamine (
CHEBI:30449
)
IUPAC Name
1
D
-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-
chiro
-inositol
Synonyms
Sources
(+)-validamine
ChEBI
(1
R
,2
S
,3
S
,4
S
)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
IUPAC
1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositol
ChemIDplus
Registry Numbers
Types
Sources
2205586
Reaxys Registry Number
Reaxys
32780-32-8
CAS Registry Number
ChemIDplus
Last Modified
17 May 2016