CHEBI:28968 - N'-phosphoguanidinoethyl methyl hydrogen phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N'-phosphoguanidinoethyl methyl hydrogen phosphate
ChEBI ID CHEBI:28968
ChEBI ASCII Name N'-phosphoguanidinoethyl methyl hydrogen phosphate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12530, CHEBI:7063, CHEBI:21439
Supplier Information
Download Molfile XML SDF
Formula C4H13N3O7P2
Net Charge 0
Average Mass 277.10956
Monoisotopic Mass 277.02287
InChI InChI=1S/C4H13N3O7P2/c1-13-16(11,12)14-3-2-6-4(5)7-15(8,9)10/h2-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,10)
InChIKey SKVVAASQKFJYKN-UHFFFAOYSA-N
SMILES COP(O)(=O)OCCNC(=N)NP(O)(O)=O
ChEBI Ontology
Outgoing N'-phosphoguanidinoethyl methyl hydrogen phosphate (CHEBI:28968) is a guanidinoethyl methyl phosphates (CHEBI:24442)
N'-phosphoguanidinoethyl methyl hydrogen phosphate (CHEBI:28968) is conjugate acid of N'-phosphonatoguanidinoethyl methyl phosphate(2−) (CHEBI:58599)
Incoming N'-phosphonatoguanidinoethyl methyl phosphate(2−) (CHEBI:58599) is conjugate base of N'-phosphoguanidinoethyl methyl hydrogen phosphate (CHEBI:28968)
IUPAC Name
(6-hydroxy-6-oxido-5,7-dioxa-2-aza-6-phosphaoctan-1-imidoyl)phosphoramidic acid
Synonyms Sources
2-{[imino(phosphonoamino)methyl]amino}ethyl methyl hydrogen phosphate IUPAC
N'-phosphoguanidinoethyl methyl phosphate ChEBI
N'-Phosphoguanidinoethyl methyl phosphate KEGG COMPOUND
Manual Xref Database
C04503 KEGG COMPOUND
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Last Modified
31 March 2010