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English
2-Hydroxy-3-(phosphonooxy)propyl octadec-9-enoate
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Statements
instance of
group of stereoisomers
0 references
subclass of
1-octadec-9-enoylglycero-3-phosphate
1 reference
based on heuristic
inferred from SMILES
mass
436.2589902819999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₄₁O₇P
0 references
canonical SMILES
O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC
0 references
isomeric SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9
0 references
InChIKey
WRGQSWVCFNIUNZ-MDZDMXLPSA-N
0 references
PubChem CID
5885531
2 references
stated in
PubChem
retrieved
26 April 2024
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WRGQSWVCFNIUNZ-MDZDMXLPSA-N
ChEBI ID
177622
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9
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