CHEBI:17110 - 1-guanidino-1-deoxy-scyllo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-guanidino-1-deoxy-scyllo-inositol
ChEBI ID CHEBI:17110
ChEBI ASCII Name 1-guanidino-1-deoxy-scyllo-inositol
Definition A derivative of scyllo-inositol having a guanidino group in place of the 1-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19042, CHEBI:11256, CHEBI:625
Supplier Information
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Formula C7H15N3O5
Net Charge 0
Average Mass 221.21122
Monoisotopic Mass 221.10117
InChI InChI=1S/C7H15N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-6,11-15H,(H4,8,9,10)/t1-,2-,3+,4+,5-,6-
InChIKey LXQDZCCPYLOHOJ-CDRYSYESSA-N
SMILES NC(=N)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 1-guanidino-1-deoxy-scyllo-inositol (CHEBI:17110) has functional parent scyllo-inositol (CHEBI:10642)
1-guanidino-1-deoxy-scyllo-inositol (CHEBI:17110) is a guanidines (CHEBI:24436)
1-guanidino-1-deoxy-scyllo-inositol (CHEBI:17110) is conjugate base of 1-guanidiniumyl-1-deoxy-scyllo-inositol(1+) (CHEBI:58016)
Incoming 1-guanidiniumyl-1-deoxy-scyllo-inositol(1+) (CHEBI:58016) is conjugate acid of 1-guanidino-1-deoxy-scyllo-inositol (CHEBI:17110)
IUPAC Name
1-[(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]guanidine
Synonyms Sources
1-[(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]guanidine ChEBI
1-carbamimidamido-1-deoxy-scyllo-inositol ChEBI
1-carbamimidoylamino-1-deoxy-scyllo-inositol ChEBI
1-Guanidino-1-deoxy-scyllo-inositol KEGG COMPOUND
1-guanidino-1-deoxy-scyllo-inositol ChEBI
Amidino-scyllo-inosamine KEGG COMPOUND
Manual Xref Database
C04280 KEGG COMPOUND
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Last Modified
21 August 2017