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

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Alcophosphamide

	Properties	Image
MNX_ID	MNXM10616
reference	chebi:80559
formula	C₇H₁₇Cl₂N₂O₃P
global charge	0
mol weight	279.104
InChIKey	BZGFIGVSVQRQBJ-UHFFFAOYSA-N
InChI	InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)
SMILES	NP(=O)(OCCCO)N(CCCl)CCCl

MNX internals

InChI (mnx)	InChI=1/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)/t15?
SMILES (mnx)	[CH2:1]([CH2:6][OH:12])[CH2:7][O:14][P:15]([NH2:10])([N:11]([CH2:4][CH2:2][Cl:8])[CH2:5][CH2:3][Cl:9])=[O:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd16365 seedM:cpd16365 CHEBI:80559 chebi:80559 kegg.compound:C16551 keggC:C16551 BZGFIGVSVQRQBJ-UHFFFAOYSA-N	Alcophosphamide
vmhM:acppmd vmhmetabolite:acppmd BZGFIGVSVQRQBJ-UHFFFAOYSA-N	Alcophosphamide 3-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propan-1-ol
hmdb:HMDB0060432 BZGFIGVSVQRQBJ-UHFFFAOYSA-N	Alcophosphamide 3-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propan-1-ol alcophosphamide
hmdb:HMDB60432 keggC:M_C16551 seedM:M_cpd16365 vmhM:M_acppmd	secondary/obsolete/fantasy identifier