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

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phosphoramide mustard

	Properties	Image
MNX_ID	MNXM12671
reference	chebi:8163
formula	C₄H₁₁Cl₂N₂O₂P
global charge	0
mol weight	221.024
InChIKey	RJXQSIKBGKVNRT-UHFFFAOYSA-N
InChI	InChI=1S/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)
SMILES	NP(=O)(O)N(CCCl)CCCl

MNX internals

InChI (mnx)	InChI=1/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)
SMILES (mnx)	[CH2:1]([CH2:3][N:8]([CH2:4][CH2:2][Cl:6])[P:11]([NH2:7])([OH:9])=[O:10])[Cl:5]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8163 chebi:8163 RJXQSIKBGKVNRT-UHFFFAOYSA-N	phosphoramide mustard Friedman acid N,N-bis(2-chloroethyl)phosphorodiamidic acid Phosphamide mustard Phosphoramide mustard phosphamide mustard phosphorodiamidic mustard
seed.compound:cpd04808 seedM:cpd04808 RJXQSIKBGKVNRT-UHFFFAOYSA-M	Phosphamide mustard Phosphoramide mustard
hmdb:HMDB0060689 RJXQSIKBGKVNRT-UHFFFAOYSA-N	Phosphoramide mustard Friedman acid Phosphamide mustard Phosphorodiamidic mustard amino[bis(2-chloroethyl)amino]phosphinic acid phosphoramide mustard
kegg.compound:C07647 keggC:C07647 RJXQSIKBGKVNRT-UHFFFAOYSA-N	Phosphoramide mustard Phosphamide mustard
hmdb:HMDB60689 keggC:M_C07647 seedM:M_cpd04808	secondary/obsolete/fantasy identifier