MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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cetilistat

	Properties	Image
MNX_ID	MNXM46186
reference	chebi:134721
formula	C₂₅H₃₉NO₃
global charge	0
mol weight	401.591
InChIKey	MVCQKIKWYUURMU-UHFFFAOYSA-N
InChI	InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
SMILES	CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C)C=C2)C(=O)O1

MNX internals

InChI (mnx)	InChI=1/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][O:28][C:25]1=[N:26][C:23]2=[C:22]([CH:20]=[C:21]([CH3:2])[CH:17]=[CH:18]2)[C:24](=[O:27])[O:29]1

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
Identifier	Description
CHEBI:134721 chebi:134721 MVCQKIKWYUURMU-UHFFFAOYSA-N	cetilistat ATL-962 oblean
kegg.drug:D09208 keggD:D09208 MVCQKIKWYUURMU-UHFFFAOYSA-N	Cetilistat (JAN/USAN/INN) Oblean (TN)
hmdb:HMDB0249835 MVCQKIKWYUURMU-UHFFFAOYSA-N	Cetilistat 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one 2-(hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one ATL-962 Oblean cetilistat
keggD:M_D09208	secondary/obsolete/fantasy identifier