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(Q74417051)
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English
N-stearoylserotonin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
N-acyl amines
0 references
lipid
0 references
fatty acid derivative
0 references
indoles
0 references
mass
442.355928712
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₆N₂O₂
0 references
canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
0 references
Identifiers
InChI
InChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)
0 references
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
67964-87-8
0 references
PubChem CID
594460
1 reference
matched by identifier from
InChIKey
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
Reaxys registry number
26015548
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
134065
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h18-19,22-23,30-31H,2-17,20-21H2,1H3,(H,29,32)
UniChem compound ID
6495364
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50344108
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70295183
0 references
Probes And Drugs ID
PD020762
0 references
LIPID MAPS ID
LMFA08020303
1 reference
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
SwissLipids ID
SLM:000597717
1 reference
matched by identifier from
InChIKey
InChIKey
FKWHKBXVLNKTGT-UHFFFAOYSA-N
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