RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0132249
RefMet name	AminoDAHP
Systematic name	(4R,5S,6R)-4-amino-5,6-dihydroxy-2-oxo-7-phosphonooxy-heptanoic acid
Synonyms	PubChem Synonyms
Exact mass	287.040622 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C7H14NO9P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71353 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C7H14NO9P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,10-11H,1-2,8H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1
InChIKey	ZGCVXINXGQLNFK-PUFIMZNGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)N)C(=O)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of AminoDAHP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting AminoDAHP
External Links
Pubchem CID	56928076
ChEBI ID	29512
KEGG ID	C12106
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)