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

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nitroglycerin

	Properties	Image
MNX_ID	MNXM12469
reference	chebi:28787
formula	C₃H₅N₃O₉
global charge	0
mol weight	227.085
InChIKey	SNIOPGDIGTZGOP-UHFFFAOYSA-N
InChI	InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
SMILES	O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
SMILES (mnx)	[CH2:1]([CH:3]([CH2:2][O:14][N+:5]([O-:9])=[O:10])[O:15][N+:6]([O-:11])=[O:12])[O:13][N+:4]([O-:7])=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9618878 reactomeM:R-ALL-9618878 CHEBI:28787 chebi:28787 SNIOPGDIGTZGOP-UHFFFAOYSA-N	nitroglycerin 1,2,3-propanetrioltrinitrate 1,2,3-propanetriyl nitrate 1,2,3-trinitrooxypropane Glyceryl trinitrate Minitran NG Natispray Nitro-Dur Nitroglycerin Nitrolingual Nitromist Nitrostat Rectogesic Transderm Nitro glycerin trinitrate glycerol trinitrate glycerol, nitric acid triester nitroglycerine nitroglycerol propane-1,2,3-triyl trinitrate trinitroglycerin trinitroglycerol
kegg.drug:D00515 keggD:D00515 SNIOPGDIGTZGOP-UHFFFAOYSA-N	Nitroglycerin (JP18/USP) Glyceryl trinitrate Minitran (TN) Nitro-bid (TN) Nitro-dur (TN) Nitromist (TN) Transderm-nitro (TN)
envipath:...e99aa11a0bcd envipathM:...e99aa11a0bcd SNIOPGDIGTZGOP-UHFFFAOYSA-N	Nitroglycerin (NG)
hmdb:HMDB0014865 SNIOPGDIGTZGOP-UHFFFAOYSA-N	Nitroglycerin 1,2,3-Propanetrioltrinitrate 1,2,3-Propanetrioltrinitric acid 1,2,3-Propanetriyl nitrate 1,2,3-Propanetriyl nitric acid 1,3-bis(nitrooxy)propan-2-yl nitrate Anginine Dynamite Gilustenon Glycerin trinitrate Glycerin trinitric acid Glycerol trinitrate Glycerol trinitric acid Glycerol, nitrate triester Glycerol, nitric acid triester Glyceryl trinitrate Glyceryl trinitric acid Minitran NG NTG Natispray Nitrangin Nitro bid Nitro dur Nitro-bid Nitro-dur NitroBid NitroDur Nitrocard Nitroderm Nitroderm TTS Nitroglycerin ointment Nitroglycerine Nitroglycerol Nitroglyn Nitrol Nitrolan Nitrolingual Nitromist Nitrong Nitrospan Nitrostat Perlinganit Propane-1,2,3-triyl trinitrate Propane-1,2,3-triyl trinitric acid Rectogesic Susadrin Sustac Sustak Sustonit TNG Transderm nitro Transderm-nitro Tridil Trinitrate, glyceryl Trinitrin Trinitroglycerin Trinitroglycerol Trinitrolong nitroglycerin
sabiork.compound:9560 sabiorkM:9560 kegg.compound:C07455 keggC:C07455 SNIOPGDIGTZGOP-UHFFFAOYSA-N	Nitroglycerin Glyceryl trinitrate
seed.compound:cpd04632 seedM:cpd04632 SNIOPGDIGTZGOP-UHFFFAOYSA-N	Nitroglycerin Glyceryl trinitrate NG glycerol trinitrate nitroglycerin
metacyc.compound:CPD-143 metacycM:CPD-143 SNIOPGDIGTZGOP-UHFFFAOYSA-N	nitroglycerin NG glycerol trinitrate
hmdb:HMDB14865 chebi:25559 chebi:7595 keggC:M_C07455 keggD:M_D00515 seedM:M_cpd04632	secondary/obsolete/fantasy identifier