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1,2-Heptanoylphosphatidylcholine
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
phosphatidylcholine
1 reference
based on heuristic
inferred from SMILES
mass
481.280453998
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1,2-diheptanoyl-sn-glycero-3-phosphocholine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₄₄NO₈P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m0/s1
0 references
InChIKey
RBFSPQDASPEAID-FQEVSTJZSA-N
0 references
CAS Registry Number
3436-45-1
0 references
PubChem CID
160688
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RBFSPQDASPEAID-FQEVSTJZSA-N
UniChem compound ID
51520929
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50187936
1 reference
matched by identifier from
InChIKey
InChIKey
RBFSPQDASPEAID-FQEVSTJZSA-N
DSSTOX compound identifier
DTXCID10110427
0 references
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