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2-Methylundecanoic 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
200.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₄O₂
0 references
canonical SMILES
O=C(O)C(C)CCCCCCCCC
0 references
found in taxon
Lumbricus terrestris
1 reference
stated in
Occurrence of unusual fatty acids in the earthworm, Lumbricus terrestris.
Identifiers
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
0 references
InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N
0 references
CAS Registry Number
24323-25-9
1 reference
InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=24323-25-9
PubChem CID
91168
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N
ChEBI ID
179754
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
SureChEMBL ID
SCHEMBL220905
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N
UniChem compound ID
22979458
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00884903
1 reference
matched by identifier from
InChIKey
InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401024322
0 references
EC number
246-164-9
0 references
ECHA Substance Infocard ID
100.041.953
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.041.953
retrieved
29 December 2019
title
2-methylundecanoic acid
(English)
quotation
CAS no.: 24323-25-9
(English)
LIPID MAPS ID
LMFA01020053
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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