MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-guanidino-1-deoxy-scyllo-inositol

	Properties	Image
MNX_ID	MNXM3422
reference	chebi:58016
formula	C₇H₁₆N₃O₅
global charge	1
mol weight	222.221
InChIKey	LXQDZCCPYLOHOJ-CDRYSYESSA-O
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)/p+1/t1-,2-,3+,4+,5-,6-
SMILES	NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/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-
SMILES (mnx)	[C@H:1]1([NH:10][C:7](=[NH:8])[NH2:9])[C@H:2]([OH:11])[C@@H:4]([OH:13])[C@H:6]([OH:15])[C@@H:5]([OH:14])[C@@H:3]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58016 chebi:58016 LXQDZCCPYLOHOJ-CDRYSYESSA-O	1-guanidino-1-deoxy-scyllo-inositol 1-guanidiniumyl-1-deoxy-scyllo-inositol cation 1-guanidiniumyl-1-deoxy-scyllo-inositol(1+)
seed.compound:cpd02624 seedM:cpd02624 LXQDZCCPYLOHOJ-CDRYSYESSA-O	1-Guanidino-1-deoxy-scyllo-inositol 1-guanidino-1-deoxy-scyllo-inositol Amidino-scyllo-inosamine amidino-scyllo-inosamine
kegg.compound:C04280 keggC:C04280 LXQDZCCPYLOHOJ-CDRYSYESSA-N	1-Guanidino-1-deoxy-scyllo-inositol Amidino-scyllo-inosamine
CHEBI:17110 chebi:17110 LXQDZCCPYLOHOJ-CDRYSYESSA-N	1-guanidino-1-deoxy-scyllo-inositol 1-Guanidino-1-deoxy-scyllo-inositol 1-[(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]guanidine 1-carbamimidamido-1-deoxy-scyllo-inositol 1-carbamimidoylamino-1-deoxy-scyllo-inositol Amidino-scyllo-inosamine
metacyc.compound:CPD-7168 metacycM:CPD-7168 LXQDZCCPYLOHOJ-CDRYSYESSA-O	1-guanidino-1-deoxy-scyllo-inositol amidino-scyllo-inosamine
chebi:11256 chebi:19042 chebi:625 keggC:M_C04280 seedM:M_cpd02624	secondary/obsolete/fantasy identifier