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

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	Properties	Image
MNX_ID	MNXM45722
reference	chebi:3436
formula	C₇H₁₅N₃O₂S₂
global charge	0
mol weight	237.35
InChIKey	IRUJZVNXZWPBMU-UHFFFAOYSA-N
InChI	InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
SMILES	CN(C)C(CSC(N)=O)CSC(N)=O

MNX internals

InChI (mnx)	InChI=1/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
SMILES (mnx)	[CH3:1][N:10]([CH3:2])[CH:5]([CH2:3][S:13][C:6](=[NH:8])[OH:11])[CH2:4][S:14][C:7](=[NH:9])[OH:12]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3436 chebi:3436 IRUJZVNXZWPBMU-UHFFFAOYSA-N	cartap 1,3-bis(carbamoylthio)-2-(N,N-dimethylamino)propane 1,3-di(carbamoylthio)-2-dimethylaminopropane 2-dimethylamino-1,3-bis(carbamoylthio)propane Cartap S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate S,S'-(2-dimethylaminotrimethylene) bis(thiocarbamate) S,S'-[2-(dimethylamino)propane-1,3-diyl] bis(thiocarbamate) carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester
seed.compound:cpd07964 seedM:cpd07964 kegg.compound:C11080 keggC:C11080 IRUJZVNXZWPBMU-UHFFFAOYSA-N IRUJZVNXZWPBMU-UHFFFAOYSA-O	Cartap
hmdb:HMDB0249690 IRUJZVNXZWPBMU-UHFFFAOYSA-N	Cartap 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane 1,3-Di(carbamoylthio)-2-dimethylaminopropane 2-Dimethylamino-1,3-bis(carbamoylthio)propane Carbamothioate, S,s'-(2-(dimethylamino)-1,3-propanediyl) ester Carbamothioic acid, S,s'-(2-(dimethylamino)-1,3-propanediyl) ester Carbamothioic acid, S,s'-(2-(dimethylamino)-1,3-propanediyl) ester, hydrobromide Carbamothioic acid, S,s'-(2-(dimethylamino)-1,3-propanediyl) ester, monohydrochloride Padan S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioic acid S,S'-(2-dimethylaminotrimethylene) bis(thiocarbamate) S,S'-(2-dimethylaminotrimethylene) bis(thiocarbamic acid) [1,3-bis(C-hydroxycarbonimidoylsulfanyl)propan-2-yl]dimethylamine padan
keggC:M_C11080 seedM:M_cpd07964	secondary/obsolete/fantasy identifier