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

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tryptamine

	Properties	Image
MNX_ID	MNXM806
reference	chebi:57887
formula	C₁₀H₁₃N₂
global charge	1
mol weight	161.228
InChIKey	APJYDQYYACXCRM-UHFFFAOYSA-O
InChI	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
SMILES	[NH3+]CCC1=CNC2=CC=CC=C12

MNX internals

InChI (mnx)	InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][CH2:6][NH2:11])=[CH:7][NH:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	51
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57887 chebi:57887 APJYDQYYACXCRM-UHFFFAOYSA-O	tryptamine 2-(1H-indol-3-yl)ethanaminium tryptaminium tryptaminium cation tryptaminium(1+)
bigg.metabolite:trypta biggM:trypta APJYDQYYACXCRM-UHFFFAOYSA-O	Tryptamine cytosol
hmdb:HMDB0000303 APJYDQYYACXCRM-UHFFFAOYSA-N	Tryptamine (3-Indolyl)ethylamine 1H-Indole-3-ethanamine 2-(1H-indol-3-yl)ETHANAMINE 2-(1H-indol-3-yl)Ethan-1-amine 2-(1H-indol-3-yl)Ethylamine 2-(1H-indol-3-yl)ethan-1-amine 2-(3-Indolyl)ethylamine 2-indol-3-yl-Aethylamin 2-indol-3-yl-Ethylamine 3-(2-Aminoethyl)-1H-indole 3-(2-Aminoethyl)indole 3-Indoleethanamine 3-Indoleethylamine TRPN Tryptamin beta-(3-Indolyl)ethylamine beta-(3-indolyl)ethylamine tryptamine
vmhM:trypta vmhmetabolite:trypta APJYDQYYACXCRM-UHFFFAOYSA-O	Tryptamine 2-(1H-indol-3-yl)ethan-1-amine
sabiork.compound:5070 sabiorkM:5070 kegg.compound:C00398 keggC:C00398 APJYDQYYACXCRM-UHFFFAOYSA-N	Tryptamine 3-(2-Aminoethyl)indole
seed.compound:cpd00318 seedM:cpd00318 APJYDQYYACXCRM-UHFFFAOYSA-O	Tryptamine 3-(2-Aminoethyl)indole 3-(2-aminoethyl)indole tryptamine
CHEBI:16765 chebi:16765 APJYDQYYACXCRM-UHFFFAOYSA-N	tryptamine 1H-indole-3-ethanamine 2-(1H-INDOL-3-YL)ETHANAMINE 2-(1H-indol-3-yl)ethanamine 2-(3-indolyl)ethylamine 3-(2-Aminoethyl)indole Tryptamine
metacyc.compound:TRYPTAMINE metacycM:TRYPTAMINE APJYDQYYACXCRM-UHFFFAOYSA-O	tryptamine 3-(2-aminoethyl)indole
hmdb:HMDB00303 hmdb:HMDB0060064 hmdb:HMDB60064 chebi:15274 chebi:27161 chebi:46157 chebi:9767 biggM:M_trypta keggC:M_C00398 seedM:M_cpd00318 vmhM:M_trypta	secondary/obsolete/fantasy identifier