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

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1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol

MNXM164701 is deprecated and here replaced by MNXM1371278
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371278
reference	chebi:58291
formula	C₇H₁₄N₃O₅
global charge	1
mol weight	220.205
InChIKey	MMPAYJAQJWVMJV-URDJKYRMSA-O
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)/p+1/t1-,2-,3+,4+,6-/m0/s1
SMILES	NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/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
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:5](=[O:14])[C@@H:3]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58291 chebi:58291 MMPAYJAQJWVMJV-URDJKYRMSA-O	1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol cation 1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol(1+) amino{[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]amino}methaniminium
vmhM:M00029 vmhmetabolite:M00029 MMPAYJAQJWVMJV-URDJKYRMSA-N	1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol
seed.compound:cpd02847 seedM:cpd02847 MMPAYJAQJWVMJV-URDJKYRMSA-O	1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol Amidino-3-keto-scyllo-inosamine D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol amidino-3-keto-scyllo-inosamine
kegg.compound:C04673 keggC:C04673 MMPAYJAQJWVMJV-URDJKYRMSA-N	1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol Amidino-3-keto-scyllo-inosamine
CHEBI:17845 chebi:17845 MMPAYJAQJWVMJV-URDJKYRMSA-N	1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol 1-[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol Amidino-3-keto-scyllo-inosamine
chebi:11346 chebi:19179 chebi:803 keggC:M_C04673 seedM:M_cpd02847 vmhM:M_M00029	secondary/obsolete/fantasy identifier