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

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psilocin

	Properties	Image
MNX_ID	MNXM7717
reference	chebi:193059
formula	C₁₂H₁₇N₂O
global charge	1
mol weight	205.281
InChIKey	SPCIYGNTAMCTRO-UHFFFAOYSA-O
InChI	InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3/p+1
SMILES	C[NH+](C)CCC1=CNC2=C1C(O)=CC=C2

MNX internals

InChI (mnx)	InChI=1/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
SMILES (mnx)	[CH3:1][N:14]([CH3:2])[CH2:7][CH2:6][C:9]1=[CH:8][NH:13][C:10]2=[C:12]1[C:11]([OH:15])=[CH:5][CH:3]=[CH:4]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:193059 chebi:193059 SPCIYGNTAMCTRO-UHFFFAOYSA-O	psilocin psilocinium
kegg.compound:C08312 keggC:C08312 SPCIYGNTAMCTRO-UHFFFAOYSA-N	Psilocin
hmdb:HMDB0042000 SPCIYGNTAMCTRO-UHFFFAOYSA-N	Psilocin (3-(2-Dimethylamino)ethyl)indol-4-ol 3-(2-(Dimethylamino)ethyl)indol-4-ol 3-[2-(Dimethylamino)ethyl]-1H-indol-4-ol 3-[2-(Dimethylamino)ethyl]-indol-4-ol 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol 4-Hydroxy-N,N-dimethyltryptamine 4-OH-DMT N,N-Dimethyl-4-hydroxytryptamine Psilocin hydrochloride Psilocin tartrate (1:1) Psilocine Psilotsin psilocin
seed.compound:cpd05227 seedM:cpd05227 SPCIYGNTAMCTRO-UHFFFAOYSA-O	Psilocin psilocin
envipath:...5a02074d7dd0 envipathM:...5a02074d7dd0 SPCIYGNTAMCTRO-UHFFFAOYSA-N	compound 0289826
metacyc.compound:CPD-20617 metacycM:CPD-20617 SPCIYGNTAMCTRO-UHFFFAOYSA-O	psilocin
CHEBI:8613 chebi:8613 SPCIYGNTAMCTRO-UHFFFAOYSA-N	psilocin 3-(2-(Dimethylamino)ethyl)indol-4-ol 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol 4-OH-DMT 4-hydroxy-N,N-dimethyltryptamine N,N-dimethyl-4-hydroxytryptamine Psilocin Psilocine Psilotsin
hmdb:HMDB42000 keggC:M_C08312 seedM:M_cpd05227	secondary/obsolete/fantasy identifier