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

Feedback

psilocybin

	Properties	Image
MNX_ID	MNXM12807
reference	chebi:139072
formula	C₁₂H₁₆N₂O₄P
global charge	-1
mol weight	283.244
InChIKey	QVDSEJDULKLHCG-UHFFFAOYSA-M
InChI	InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)/p-1
SMILES	C[NH+](C)CCC1=CNC2=CC=CC(OP(=O)([O-])[O-])=C12

MNX internals

InChI (mnx)	InChI=1/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
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]([O:18][P:19]([OH:15])([OH:16])=[O:17])=[CH:5][CH:3]=[CH:4]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139072 chebi:139072 QVDSEJDULKLHCG-UHFFFAOYSA-M	psilocybin 3-[2-(dimethylazaniumyl)ethyl]-1H-indol-4-yl phosphate psilocybin(1-)
kegg.drug:D12881 keggD:D12881 QVDSEJDULKLHCG-UHFFFAOYSA-N	Psilocybin (USAN) Psilocybine (INN)
hmdb:HMDB0256899 QVDSEJDULKLHCG-UHFFFAOYSA-N	Psilocybine ({3-[2-(dimethylamino)ethyl]-1H-indol-4-yl}oxy)phosphonic acid 3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphate ester 3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphoric acid ester 3-(2-Dimethylaminoethyl)indol-4-yl dihydrogen phosphate 3-(2-Dimethylaminoethyl)indol-4-yl dihydrogen phosphoric acid 4-Phosphoryloxy-N,N-dimethyltryptamine Indocybin O-Phosphoryl-4-hydroxy-N,N-dimethyltryptamine Psilocibin Psilocibina Psilocin phosphate ester Psilocin phosphoric acid ester Psilocybinum psilocybin
seed.compound:cpd04744 seedM:cpd04744 QVDSEJDULKLHCG-UHFFFAOYSA-M	Psilocybin 3-(2-dimethylaminoethyl)indol-4-yl dihydrogen phosphate 3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate 4-phosphoryloxy-N,N-dimethyltryptamine O-phosphoryl-4-hydroxy-N,N-dimethyltryptamine Psilocybine indocybin psilocybin
kegg.compound:C07576 keggC:C07576 QVDSEJDULKLHCG-UHFFFAOYSA-N	Psilocybin Psilocybine
envipath:...59bf0e2f8d2f envipathM:...59bf0e2f8d2f QVDSEJDULKLHCG-UHFFFAOYSA-N	compound 0289825
CHEBI:8614 chebi:8614 QVDSEJDULKLHCG-UHFFFAOYSA-N	psilocybin 3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphate ester 3-(2-Dimethylaminoethyl)indol-4-yl dihydrogen phosphate 3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate 4-phosphoryloxy-N,N-dimethyltryptamine Indocybin O-phosphoryl-4-hydroxy-N,N-dimethyltryptamine Psilocybin Psilocybine psilocibina psilocin phosphate ester psilocybine psilocybinum
metacyc.compound:CPD-20576 metacycM:CPD-20576 QVDSEJDULKLHCG-UHFFFAOYSA-M	psilocybin 3-(2-dimethylaminoethyl)indol-4-yl dihydrogen phosphate 3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate 4-phosphoryloxy-N,N-dimethyltryptamine O-phosphoryl-4-hydroxy-N,N-dimethyltryptamine indocybin
keggC:M_C07576 keggD:M_D12881 seedM:M_cpd04744	secondary/obsolete/fantasy identifier