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

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bilanafos

	Properties	Image
MNX_ID	MNXM5892
reference	chebi:3088
formula	C₁₁H₂₂N₃O₆P
global charge	0
mol weight	323.286
InChIKey	GINJFDRNADDBIN-FXQIFTODSA-N
InChI	InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
SMILES	C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCP(C)(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:6]([C:9](=[N:14][C@@H:7]([CH3:2])[C:11](=[O:17])[OH:18])[OH:15])[N:13]=[C:10]([C@H:8]([CH2:4][CH2:5][P:21]([CH3:3])([OH:19])=[O:20])[NH2:12])[OH:16]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3088 chebi:3088 GINJFDRNADDBIN-FXQIFTODSA-N	bilanafos (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine (2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine 2-Amino-4-(methylphosphino)butyrylalanylalanine Antibiotic SF 1293 Bialaphos Bilanafos L-phosphinothricyl-L-alanyl-L-alanine N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine PTT Phosphinothricylalanylalanine gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine phosphinothricin tripeptide
seed.compound:cpd03875 seedM:cpd03875 GINJFDRNADDBIN-FXQIFTODSA-M	Bialaphos (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine 2-Amino-4-(methylphosphino)butyrylalanylalanine 2-amino-4-(methylphosphino)butyrylalanylalanine Bilanafos PTT Phosphinothricin tripeptide bialaphos bilanafos gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L- alanine gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine phophinothricin tripeptide phosphinothricin tripeptide phosphinothricylalanylalanine
kegg.compound:C06457 keggC:C06457 GINJFDRNADDBIN-FXQIFTODSA-N	Bialaphos 2-Amino-4-(methylphosphino)butyrylalanylalanine Bilanafos Phosphinothricin tripeptide gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine
sabiork.compound:8647 sabiorkM:8647 GINJFDRNADDBIN-FXQIFTODSA-N	Bialaphos 2-Amino-4-(methylphosphino)butyrylalanylalanine gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L- alanine gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine
metacyc.compound:CPD-10013 metacycM:CPD-10013 GINJFDRNADDBIN-FXQIFTODSA-M	bialaphos (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine 2-amino-4-(methylphosphino)butyrylalanylalanine PTT bilanafos phosphinothricin tripeptide phosphinothricylalanylalanine
keggC:M_C06457 seedM:M_cpd03875	secondary/obsolete/fantasy identifier