CHEBI:28399 - 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate
ChEBI ID CHEBI:28399
ChEBI ASCII Name 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate
Definition A scyllo-inositol phosphate that is 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol carrying a single phospho substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19182, CHEBI:806
Supplier Information
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Formula C7H17N4O7P
Net Charge 0
Average Mass 300.20640
Monoisotopic Mass 300.08349
InChI InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)6(5(14)4(1)13)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4+,5-,6-/m0/s1
InChIKey YFFQDNQRUIYSNO-FUHDGFEASA-N
SMILES N[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@H]1O
ChEBI Ontology
Outgoing 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate (CHEBI:28399) has functional parent scyllo-inositol (CHEBI:10642)
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate (CHEBI:28399) is a scyllo-inositol phosphate (CHEBI:26613)
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate (CHEBI:28399) is tautomer of 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate dizwitterion (CHEBI:134496)
Incoming 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate dizwitterion (CHEBI:134496) is tautomer of 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate (CHEBI:28399)
IUPAC Names
(1S,2R,3S,4S,5R,6S)-4-amino-2-carbamimidamido-3,5,6-trihydroxycyclohexyl dihydrogen phosphate
1D-3-amino-1-carbamimidamido-1,3-dideoxy-scyllo-inositol 6-(dihydrogen phosphate)
Synonyms Sources
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate KEGG COMPOUND
1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate KEGG COMPOUND
Manual Xref Database
C11351 KEGG COMPOUND
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Last Modified
09 May 2017