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(Q74417462)
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English
N-oleoyl-L-phenylalaninate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
carboxylate anion
0 references
mass
428.31701778390993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₇H₄₂NO₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]
0 references
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h9-10,16-18,20-21,25H,2-8,11-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/p-1/b10-9-/t25-/m0/s1
0 references
InChIKey
UWKNPULCJWBBDD-JRUKXMRZSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
122391266
1 reference
matched by identifier from
InChIKey
InChIKey
UWKNPULCJWBBDD-JRUKXMRZSA-M
ChEBI ID
134020
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h9-10,16-18,20-21,25H,2-8,11-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/p-1/b10-9-/t25-/m0/s1
UniChem compound ID
148957274
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597693
1 reference
matched by identifier from
InChIKey
InChIKey
UWKNPULCJWBBDD-JRUKXMRZSA-M
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