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

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Ibervirin

	Properties	Image
MNX_ID	MNXM126657
reference	hmdb:HMDB0034370
formula	C₅H₉NS₂
global charge	0
mol weight	147.268
InChIKey	LDKSCZJUIURGMW-UHFFFAOYSA-N
InChI	InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
SMILES	CSCCCN=C=S

MNX internals

InChI (mnx)	InChI=1/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
SMILES (mnx)	[CH3:1][S:8][CH2:4][CH2:2][CH2:3][N:6]=[C:5]=[S:7]

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
hmdb:HMDB0034370 LDKSCZJUIURGMW-UHFFFAOYSA-N	Ibervirin 1-Isothiocyanato-3-(methylsulphanyl)propane 1-isothiocyanato-3-(Methylsulfanyl)propane 1-isothiocyanato-3-(methylsulfanyl)propane 1-isothiocyanato-3-(methylthio)-Propane 3-(methylthio)Propyl isothiocyanate 3-Methylmercaptopropyl isothiocyanate 3-Methylthiopropyl 3-Methylthiopropyl isothiocyanate FEMA 3312 Iberverin Isothiocyanic acid, 3-(methylthio)propyl ester
hmdb:HMDB34370	secondary/obsolete/fantasy identifier