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(Q82472709)
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(12S)-12-Methyltetradecanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
242.2245802
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₃₀O₂
0 references
canonical SMILES
O=C(O)CCCCCCCCCCC(C)CC
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isomeric SMILES
CC[C@H](C)CCCCCCCCCCC(=O)O
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found in taxon
Antirrhinum majus
1 reference
stated in
Über das Vorkommen von verzweigtkettigen Fettsäuren beiAntirrhinum majus
Monascus purpureus
1 reference
stated in
Long-chain fatty acids from Monascus purpureus
Nicotiana tabacum
1 reference
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
Identifiers
InChI
InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
0 references
InChIKey
XKLJLHAPJBUBNL-AWEZNQCLSA-N
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CAS Registry Number
5746-58-7
0 references
PubChem CID
16048574
0 references
SureChEMBL ID
SCHEMBL22612557
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKLJLHAPJBUBNL-AWEZNQCLSA-N
UniChem compound ID
32414131
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70581533
0 references
DSSTOX compound identifier
DTXCID80532298
0 references
KNApSAcK ID
C00062267
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKLJLHAPJBUBNL-AWEZNQCLSA-N
Natural Product Atlas ID
NPA020667
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKLJLHAPJBUBNL-AWEZNQCLSA-N
PDB ligand ID
BNV
0 references
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