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(Q76390080)
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English
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
N-acyl amines
0 references
mass
343.27225866399993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₃₇NO₄
0 references
canonical SMILES
CCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
0 references
InChIKey
BFVRFWIQTACAPT-KRWDZBQOSA-N
0 references
CAS Registry Number
16417-38-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6453686
0 references
ChEBI ID
165558
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24)/t17-/m0/s1
SureChEMBL ID
SCHEMBL193476
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFVRFWIQTACAPT-KRWDZBQOSA-N
UniChem compound ID
25958700
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0242111
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFVRFWIQTACAPT-KRWDZBQOSA-N
LIPID MAPS ID
LMFA08020101
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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