CHEBI:17845 - 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol
ChEBI ID CHEBI:17845
ChEBI ASCII Name 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11346, CHEBI:803, CHEBI:19179
Supplier Information
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Formula C7H13N3O5
Net Charge 0
Average Mass 219.19534
Monoisotopic Mass 219.08552
InChI InChI=1S/C7H13N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-4,6,11-13,15H,(H4,8,9,10)/t1-,2-,3+,4+,6-/m0/s1
InChIKey MMPAYJAQJWVMJV-URDJKYRMSA-N
SMILES NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O
ChEBI Ontology
Outgoing 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol (CHEBI:17845) has functional parent scyllo-inositol (CHEBI:10642)
1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol (CHEBI:17845) is a guanidines (CHEBI:24436)
1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol (CHEBI:17845) is conjugate base of 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol(1+) (CHEBI:58291)
Incoming 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol(1+) (CHEBI:58291) is conjugate acid of 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol (CHEBI:17845)
IUPAC Name
1-[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine
Synonyms Sources
1-[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine ChEBI
1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol ChEBI
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol KEGG COMPOUND
Amidino-3-keto-scyllo-inosamine KEGG COMPOUND
Manual Xref Database
C04673 KEGG COMPOUND
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Last Modified
28 July 2014