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(Q82003673)
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6-o-phosphonohexopyranosyl hexopyranoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
422.082542046
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₃O₁₄P
0 references
canonical SMILES
O=P(O)(O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
0 references
InChIKey
LABSPYBHMPDTEL-UHFFFAOYSA-N
0 references
CAS Registry Number
10196-10-8
0 references
PubChem CID
1144
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
182126
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
UniChem compound ID
55168790
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90274298
1 reference
matched by identifier from
InChIKey
InChIKey
LABSPYBHMPDTEL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20225778
0 references
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