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(Q106038735)
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English
12-(octadecanoyloxy)octadecanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
566.52741072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₇₀O₄
0 references
canonical SMILES
O=C(O)CCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCC
0 references
Identifiers
InChI
InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
HCUIHIKPUYHKSQ-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
51350-61-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
13847803
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
137089
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
27125318
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0112120
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD018137
0 references
LIPID MAPS ID
LMFA07090015
1 reference
InChIKey
HCUIHIKPUYHKSQ-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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