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English
(4R)-1-Hexadecyl-4-hydroxy-L-proline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
355.3086441719999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₄₁NO₃
0 references
canonical SMILES
CCCCCCCCCCCCCCCCN1CC(O)CC1C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCCN1C[C@@H](C[C@H]1C(=O)O)O
0 references
Identifiers
InChI
InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(23)17-20(22)21(24)25/h19-20,23H,2-18H2,1H3,(H,24,25)/t19-,20+/m1/s1
0 references
InChIKey
FDSLJAYOPNMZIY-UXHICEINSA-N
0 references
CAS Registry Number
76652-69-2
1 reference
InChIKey
FDSLJAYOPNMZIY-UXHICEINSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=76652-69-2
PubChem CID
66690736
1 reference
matched by identifier from
InChIKey
InChIKey
FDSLJAYOPNMZIY-UXHICEINSA-N
ChEBI ID
193392
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(23)17-20(22)21(24)25/h19-20,23H,2-18H2,1H3,(H,24,25)/t19-,20+/m1/s1
SureChEMBL ID
SCHEMBL454183
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FDSLJAYOPNMZIY-UXHICEINSA-N
UniChem compound ID
51781403
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00735587
1 reference
matched by identifier from
InChIKey
InChIKey
FDSLJAYOPNMZIY-UXHICEINSA-N
DSSTOX compound identifier
DTXCID30686331
0 references
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