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(Q113534905)
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English
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
phytane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
310.287180456
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoic acid
1 reference
based on heuristic
inferred from InChI
3,7,11,15-Tetramethyl-2-hexadecenoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₈O₂
0 references
canonical SMILES
CC(=CC(=O)O)CCCC(C)CCCC(C)CCCC(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C\C(=O)O)/C)CCCC(C)C
0 references
Identifiers
InChI
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15-/t17-,18-/m1/s1
0 references
InChIKey
WDWBNNBRPVEEOD-UMSXXIAASA-N
0 references
PubChem CID
52929818
0 references
ChEBI ID
180282
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15-/t17-,18-/m1/s1
UniChem compound ID
54619187
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR0104010005
0 references
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