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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
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CHEBI:44052 - isopropyl dihydrogen phosphate
Main
ChEBI Ontology
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ChEBI Name
isopropyl dihydrogen phosphate
ChEBI ID
CHEBI:44052
Definition
Monophosphorylated isopropyl alcohol.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44047, CHEBI:43583
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Formula
C3H9O4P
Net Charge
0
Average Mass
140.07490
Monoisotopic Mass
140.02385
InChI
InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKey
QPPQHRDVPBTVEV-UHFFFAOYSA-N
SMILES
CC(C)OP(O)(O)=O
Roles Classification
Biological Role
(s):
phosphoantigen
Any antigen that is a phosphorylated microbial metabolite which activates an immune response in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isopropyl dihydrogen phosphate (
CHEBI:44052
)
has role
phosphoantigen (
CHEBI:59544
)
isopropyl dihydrogen phosphate (
CHEBI:44052
)
is a
monoalkyl phosphate (
CHEBI:25381
)
IUPAC Name
propan-2-yl dihydrogen phosphate
Manual Xrefs
Databases
DB03976
DrugBank
ISP
PDBeChem
View more database links
Registry Numbers
Types
Sources
1702875
Beilstein Registry Number
Beilstein
185003
Gmelin Registry Number
Gmelin
Last Modified
24 May 2010