CHEBI:98954 - (2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:98954
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H25N3OS
Net Charge 0
Average Mass 379.520
Monoisotopic Mass 379.17183
InChI InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20-,21-/m1/s1
InChIKey DBVJKEGLTFFIFT-NJDAHSKKSA-N
SMILES CCC1=CN=C(S1)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO
ChEBI Ontology
Outgoing (2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:98954) is a azetidines (CHEBI:38777)
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:98954) is a benzenes (CHEBI:22712)
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:98954) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-10333 LINCS
View more database links