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

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N-methylethanolamine phosphate

	Properties	Image
MNX_ID	MNXM1491
reference	chebi:57781
formula	C₃H₉NO₄P
global charge	-1
mol weight	154.082
InChIKey	HZDCAHRLLXEQFY-UHFFFAOYSA-M
InChI	InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)/p-1
SMILES	C[NH2+]CCOP(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
SMILES (mnx)	[CH3:1][NH:4][CH2:2][CH2:3][O:8][P:9]([OH:5])([OH:6])=[O:7]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57781 chebi:57781 HZDCAHRLLXEQFY-UHFFFAOYSA-M	N-methylethanolamine phosphate 2-(methylammonio)ethyl phosphate 2-(methylazaniumyl)ethyl phosphate N-methylethanolaminium phosphate anion N-methylethanolaminium phosphate(1-) [2-(methylazaniumyl)ethyl] phosphate
sabiork.compound:5447 sabiorkM:5447 kegg.compound:C01210 keggC:C01210 HZDCAHRLLXEQFY-UHFFFAOYSA-N	N-Methylethanolamine phosphate
seed.compound:cpd00888 seedM:cpd00888 HZDCAHRLLXEQFY-UHFFFAOYSA-M	N-Methylethanolamine phosphate N-methylethanolamine phosphate P-MME
hmdb:HMDB0060173 HZDCAHRLLXEQFY-UHFFFAOYSA-N	N-Methylethanolaminium phosphate N-Methylethanolaminium phosphoric acid N-methylethanolamine phosphate [2-(methylamino)ethoxy]phosphonic acid
CHEBI:16463 chebi:16463 HZDCAHRLLXEQFY-UHFFFAOYSA-N	N-methylethanolamine phosphate 2-(methylamino)ethyl dihydrogen phosphate N-Methylethanolamine phosphate
metacyc.compound:CPD-406 metacycM:CPD-406 HZDCAHRLLXEQFY-UHFFFAOYSA-M	N-methylethanolamine phosphate P-MME
bigg.metabolite:HC00718 biggM:HC00718 HZDCAHRLLXEQFY-UHFFFAOYSA-M	N-methylethanolaminium phosphate(1-)
vmhM:HC00718 vmhmetabolite:HC00718 HZDCAHRLLXEQFY-UHFFFAOYSA-M	N-methylethanolaminium phosphate(1-) [2-(methylamino)ethoxy]phosphonic acid
hmdb:HMDB60173 chebi:12608 chebi:21764 chebi:7314 biggM:M_HC00718 keggC:M_C01210 seedM:M_cpd00888 vmhM:M_HC00718	secondary/obsolete/fantasy identifier