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

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(3-aminopropyl)phosphonic acid

	Properties	Image
MNX_ID	MNXM36336
reference	chebi:142993
formula	C₃H₁₀NO₃P
global charge	0
mol weight	139.091
InChIKey	GSZQTIFGANBTNF-UHFFFAOYSA-N
InChI	InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
SMILES	NCCCP(=O)(O)O

MNX internals

InChI (mnx)	InChI=1/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
SMILES (mnx)	[CH2:1]([CH2:2][NH2:4])[CH2:3][P:8]([OH:5])([OH:6])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142993 chebi:142993 GSZQTIFGANBTNF-UHFFFAOYSA-N	(3-aminopropyl)phosphonic acid 3-APPA 3-APPn 3-aminopropylphosphonic acid
CHEBI:142996 chebi:142996 GSZQTIFGANBTNF-UHFFFAOYSA-N	(3-aminopropyl)phosphonate (3-aminopropyl)phosphonic acid zwitterion hydrogen (3-ammoniopropyl)phosphonate hydrogen (3-azaniumylpropyl)phosphonate
metacyc.compound:CPD0-1077 metacycM:CPD0-1077 GSZQTIFGANBTNF-UHFFFAOYSA-N	(3-aminopropyl)phosphonate 3-APPn 3-aminopropylphosphonic acid
seed.compound:cpd25962 seedM:cpd25962 GSZQTIFGANBTNF-UHFFFAOYSA-N	3-APPn (3-aminopropyl)phosphonate 3-aminopropylphosphonate 3-aminopropylphosphonic acid
hmdb:HMDB0245822 GSZQTIFGANBTNF-UHFFFAOYSA-N	3-Aminopropylphosphonic acid (3-aminopropyl)phosphonic acid 3-APPA 3-APPn 3-Aminopropylphosphonate 3-aminopropylphosphonic acid Aminopropylphosphonate, sodium salt
seedM:M_cpd25962	secondary/obsolete/fantasy identifier