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

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Cantleyine

	Properties	Image
MNX_ID	MNXM45419
reference	chebi:3365
formula	C₁₁H₁₃NO₃
global charge	0
mol weight	207.229
InChIKey	MJGLQDXKEOEIFB-LDWIPMOCSA-N
InChI	InChI=1S/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1
SMILES	COC(=O)C1=C2C[C@H](O)[C@H](C)C2=CN=C1

MNX internals

InChI (mnx)	InChI=1/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1
SMILES (mnx)	[CH3:1][C@@H:6]1[C:8]2=[C:7]([CH2:3][C@@H:10]1[OH:13])[C:9]([C:11](=[O:14])[O:15][CH3:2])=[CH:5][N:12]=[CH:4]2

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
seed.compound:cpd06823 seedM:cpd06823 CHEBI:3365 chebi:3365 kegg.compound:C09933 keggC:C09933 MJGLQDXKEOEIFB-LDWIPMOCSA-N	Cantleyine
keggC:M_C09933 seedM:M_cpd06823	secondary/obsolete/fantasy identifier