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(Q33129821)
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English
inositol 1,3,4-trisphosphate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
inositol 1,4,5-trisphosphate
1 reference
based on heuristic
inferred from SMILES
mass
419.9623796699999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
D-myo-inositol-2,4,5-triphosphate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1s,3s,4s)-1,3,4-Triphospho-Myo-Inositol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
D-Myo-Inositol-1,2,4-Triphosphate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1D-myo-inositol 3,4,6-trisphosphate
1 reference
based on heuristic
inferred from InChI
IP3
1 reference
based on heuristic
inferred from InChI
[(1S,2S,3R,4R,5R,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
1 reference
based on heuristic
inferred from InChI
inositol trisphosphate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₆H₁₅O₁₅P₃
0 references
canonical SMILES
O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O
0 references
Identifiers
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m0/s1
0 references
InChIKey
MMWCIQZXVOZEGG-NCGNNJKGSA-N
0 references
CAS Registry Number
98102-63-7
1 reference
InChIKey
MMWCIQZXVOZEGG-NCGNNJKGSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=98102-63-7
PubChem CID
123680
1 reference
matched by identifier from
InChIKey
InChIKey
MMWCIQZXVOZEGG-NCGNNJKGSA-N
UniChem compound ID
25631666
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10243446
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
MMWCIQZXVOZEGG-NCGNNJKGSA-N
DSSTOX compound identifier
DTXCID10165937
0 references
Human Metabolome Database ID
HMDB0001143
reason for deprecated rank
cannot be confirmed by other sources
0 references
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