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CHEBI:28968 - N'-phosphoguanidinoethyl methyl hydrogen phosphate

ChEBI IDCHEBI:28968
ChEBI NameN'-phosphoguanidinoethyl methyl hydrogen phosphate
Stars
ASCII NameN'-phosphoguanidinoethyl methyl hydrogen phosphate
Secondary ChEBI IDsCHEBI:7063, CHEBI:12530, CHEBI:21439
Last Modified31 March 2010
DownloadsMolfile
FormulaC4H13N3O7P2
Net Charge0
Average Mass277.110
Monoisotopic Mass277.02287
SMILESCOP(=O)(O)OCCNC(=N)NP(=O)(O)O
InChIInChI=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)
InChIKeySKVVAASQKFJYKN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
N'-Phosphoguanidinoethyl methyl phosphateKEGG COMPOUND
N'-phosphoguanidinoethyl methyl phosphateChEBI
2-{[imino(phosphonoamino)methyl]amino}ethyl methyl hydrogen phosphateIUPAC
Manual XrefsDatabases
C04503KEGG COMPOUND