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Carinatine

PropertiesImage
MNX_IDMNXM45668 Image of MNXM45668
referencechebi:3418
formulaC17H21NO4
global charge0
mol weight303.358
InChIKeyTZJUAPRPYXCUDU-GLZXHMCRSA-N
InChIInChI=1S/C17H21NO4/c1-22-14-5-10-7-18-3-2-9-4-11(8-19)17(21)15(16(9)18)12(10)6-13(14)20/h4-6,11,15-17,19-21H,2-3,7-8H2,1H3/t11-,15+,16-,17-/m1/s1
SMILESCOC1=CC2=C(C=C1O)[C@@H]1[C@H](O)[C@@H](CO)C=C3CCN(C2)[C@H]31
MNX internals
InChI (mnx)InChI=1/C17H21NO4/c1-22-14-5-10-7-18-3-2-9-4-11(8-19)17(21)15(16(9)18)12(10)6-13(14)20/h4-6,11,15-17,19-21H,2-3,7-8H2,1H3/t11-,15+,16-,17-/m1/s1 Image of MNXM45668
SMILES (mnx)[CH3:1][O:22][C:14]1=[C:13]([OH:20])[CH:6]=[C:12]2[C:10](=[CH:5]1)[CH2:7][N:18]1[CH2:3][CH2:2][C:9]3=[CH:4][C@H:11]([CH2:8][OH:19])[C@@H:17]([OH:21])[C@@H:15]2[C@@H:16]31
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd05430
seedM:cpd05430
CHEBI:3418
chebi:3418
kegg.compound:C08523
keggC:C08523
TZJUAPRPYXCUDU-GLZXHMCRSA-N
TZJUAPRPYXCUDU-GLZXHMCRSA-O 		Carinatine

keggC:M_C08523
seedM:M_cpd05430 		secondary/obsolete/fantasy identifier