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

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

	Properties	Image
MNX_ID	MNXM5430
reference	chebi:28399
formula	C₇H₁₇N₄O₇P
global charge	0
mol weight	300.208
InChIKey	YFFQDNQRUIYSNO-FUHDGFEASA-N
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
SMILES	N=C(N)N[C@@H]1[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[C@H:1]1([NH2:8])[C@H:3]([OH:12])[C@@H:2]([NH:11][C:7](=[NH:9])[NH2:10])[C@H:6]([O:18][P:19]([OH:15])([OH:16])=[O:17])[C@@H:5]([OH:14])[C@@H:4]1[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28399 chebi:28399 YFFQDNQRUIYSNO-FUHDGFEASA-N	1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate (1S,2R,3S,4S,5R,6S)-4-amino-2-carbamimidamido-3,5,6-trihydroxycyclohexyl dihydrogen phosphate 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate 1D-3-amino-1-carbamimidamido-1,3-dideoxy-scyllo-inositol 6-(dihydrogen phosphate)
seed.compound:cpd02923 seedM:cpd02923 YFFQDNQRUIYSNO-FUHDGFEASA-N	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate 1D-1-guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate N1-Amidinostreptamine 6-phosphate N1-amidinostreptamine 6-phosphate
CHEBI:134496 chebi:134496 YFFQDNQRUIYSNO-FUHDGFEASA-N	1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate dizwitterion (1S,2R,3S,4S,5R,6S)-4-azaniumyl-2-{[azaniumyl(imino)methyl]amino}-3,5,6-trihydroxycyclohexyl phosphate
seed.compound:cpd08206 seedM:cpd08206	N1-Amidinostreptamine 6-phosphate
kegg.compound:C11351 keggC:C11351 YFFQDNQRUIYSNO-FUHDGFEASA-N	N1-Amidinostreptamine 6-phosphate 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate
metacyc.compound:CPD-12064 metacycM:CPD-12064 YFFQDNQRUIYSNO-FUHDGFEASA-N	N1-amidinostreptamine 6-phosphate 1D-1-guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate
chebi:19182 chebi:806 keggC:M_C11351 seedM:M_cpd02923 seedM:M_cpd08206	secondary/obsolete/fantasy identifier