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(Q82010671)
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2-heptylnonanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
branched chain fatty acids
0 references
mass
256.240230264
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₃₂O₂
0 references
canonical SMILES
CCCCCCCC(CCCCCCC)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
0 references
InChIKey
QMTHILFALDMACK-UHFFFAOYSA-N
0 references
CAS Registry Number
619-38-5
0 references
PubChem CID
222518
1 reference
matched by identifier from
InChIKey
InChIKey
QMTHILFALDMACK-UHFFFAOYSA-N
ChEBI ID
179741
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(16(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
SureChEMBL ID
SCHEMBL2491520
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMTHILFALDMACK-UHFFFAOYSA-N
UniChem compound ID
26965673
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60278642
1 reference
matched by identifier from
InChIKey
InChIKey
QMTHILFALDMACK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40229798
0 references
NSC number
8724
0 references
LIPID MAPS ID
LMFA01020168
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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