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

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alafosfalin

	Properties	Image
MNX_ID	MNXM40500
reference	metacycM:CPD0-2071
formula	C₅H₁₂N₂O₄P
global charge	-1
mol weight	195.135
InChIKey	BHAYDBSYOBONRV-IUYQGCFVSA-M
InChI	InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/p-1/t3-,4+/m0/s1
SMILES	C[C@H]([NH3+])C(=O)N[C@@H](C)P(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:3]([C:5](=[N:7][C@@H:4]([CH3:2])[P:12]([OH:9])([OH:10])=[O:11])[OH:8])[NH2:6]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD0-2071 metacycM:CPD0-2071 BHAYDBSYOBONRV-IUYQGCFVSA-M	alafosfalin ((1R)-1-((2S)-2-aminopropionamido)ethyl)phosphonic acid (1R)-1-(L-alanylamino)ethylphosphonic acid L-alanyl-L-1-aminoethylphosphonic acid
seed.compound:cpd26403 seedM:cpd26403 BHAYDBSYOBONRV-IUYQGCFVSA-N	((1R)-1-((2S)-2-Aminopropionamido)ethyl)phosphonic acid ((1R)-1-((2S)-2-aminopropionamido)ethyl)phosphonic acid (1R)-1-(L-Alanylamino)ethylphosphonic acid (1R)-1-(L-alanylamino)ethylphosphonic acid L-Alanyl-L-1-aminoethylphosphonic acid L-alanyl-L-1-aminoethylphosphonic acid alafosfalin
hmdb:HMDB0248096 BHAYDBSYOBONRV-UHFFFAOYSA-N	Alafosfalin Alaphosphin monohydrobromide Alaphosphin, (R-(r,s))-isomer Alaphosphin, (S-(r,r))-isomer [1-(2-aminopropanamido)ethyl]phosphonic acid alafosfalin
seedM:M_cpd26403	secondary/obsolete/fantasy identifier