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Neoxaline

MNXM149134 is deprecated and replaced by MNXM1100741
PropertiesImage
MNX_IDMNXM1100741 Image of MNXM1100741
referencekeggC:C22172
formulaC23H25N5O4
global charge0
mol weight435.484
InChIKeyHHLNXXASUKFCCX-LICLKQGHSA-N
InChIInChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+
SMILESC=CC(C)(C)C12CC(O)C(=O)N3/C(=C/C4=CNC=N4)C(=O)NC31N(OC)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18?,22?,23? Image of MNXM1100741
SMILES (mnx)[CH2:1]=[CH:5][C:21]([CH3:2])([CH3:3])[C:22]12[CH2:11][CH:18]([OH:29])[C:20](=[O:31])[N:27]3/[C:17](=[CH:10]/[C:14]4=[CH:12][N:24]=[CH:13][NH:25]4)[C:19]([OH:30])=[N:26][C:23]13[N:28]([O:32][CH3:4])[C:16]1=[CH:9][CH:7]=[CH:6][CH:8]=[C:15]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C22172
keggC:C22172
HHLNXXASUKFCCX-LICLKQGHSA-N 		Neoxaline

metacyc.compound:CPD-17394
metacycM:CPD-17394
seed.compound:cpd34186
seedM:cpd34186
HHLNXXASUKFCCX-LICLKQGHSA-N 		neoxaline

keggC:M_C22172
seedM:M_cpd34186 		secondary/obsolete/fantasy identifier