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

Feedback

(indol-3-yl)acetonitrile

	Properties	Image
MNX_ID	MNXM1746
reference	chebi:17566
formula	C₁₀H₈N₂
global charge	0
mol weight	156.188
InChIKey	DMCPFOBLJMLSNX-UHFFFAOYSA-N
InChI	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
SMILES	N#CCC1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C:6]#[N:11])=[CH:7][NH:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17566 chebi:17566 DMCPFOBLJMLSNX-UHFFFAOYSA-N	(indol-3-yl)acetonitrile (Indol-3-yl)acetonitrile (Indole-3-yl)acetonitrile 1H-indol-3-ylacetonitrile 3-(cyanomethyl)indole 3-Indoleacetonitrile 3-indolylacetonitrile Indol-3-ylacetonitrile Indole-3-acetonitrile indole-3-acetonitrile
metacyc.compound:INDOLEYL-CPD metacycM:INDOLEYL-CPD DMCPFOBLJMLSNX-UHFFFAOYSA-N	(indol-3-yl)acetonitrile 3-indoleacetonitrile IAN indole-3-acetonitrile indole-3-ylacetonitrile
hmdb:HMDB0006524 DMCPFOBLJMLSNX-UHFFFAOYSA-N	3-Indoleacetonitrile (1H-Indol-3-yl)acetonitrile (3-Indolyl)acetonitrile (Indole-3-yl)acetonitrile (indol-3-yl)Acetonitrile 1H-Indole-3-acetonitrile 1H-indol-3-Ylacetonitrile 2-(1H-indol-3-yl)acetonitrile 3-(Cyanomethyl)indole 3-Cyanomethyl-1H-indole 3-Indolacetonitrile 3-Indolyl-acetonitrile 3-Indolylacetonitrile IAN Indole-3-acetonitrile Indoleacetonitrile Indolyl-3-acetonitrile Indolylacetonitril Indolylacetonitrile Usaf CB-29 b-Indoleacetonitrile beta-Indoleacetonitrile indol-3-Ylacetonitrile indole-3-acetonitrile
seed.compound:cpd01881 seedM:cpd01881 DMCPFOBLJMLSNX-UHFFFAOYSA-N	3-Indoleacetonitrile (Indol-3-yl)acetonitrile (indole-3-yl)acetonitrile 3-indoleacetonitrile IAN Indol-3-ylacetonitrile Indole-3-acetonitrile ind3acnl indole-3-acetonitrile indole-3-ylacetonitrile
kegg.compound:C02938 keggC:C02938 DMCPFOBLJMLSNX-UHFFFAOYSA-N	3-Indoleacetonitrile (Indol-3-yl)acetonitrile Indol-3-ylacetonitrile Indole-3-acetonitrile
sabiork.compound:2598 sabiorkM:2598 DMCPFOBLJMLSNX-UHFFFAOYSA-N	3-Indoleacetonitrile (Indole-3-yl)acetonitrile Indol-3-ylacetonitrile Indole-3-acetonitrile
bigg.metabolite:ind3acnl biggM:ind3acnl	Indole 3 acetonitrile
hmdb:HMDB06524 chebi:11841 chebi:1559 chebi:24804 biggM:M_ind3acnl keggC:M_C02938 seedM:M_cpd01881	secondary/obsolete/fantasy identifier