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

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Aldophosphamide

	Properties	Image
MNX_ID	MNXM2968
reference	chebi:2560
formula	C₇H₁₅Cl₂N₂O₃P
global charge	0
mol weight	277.088
InChIKey	QMGUSPDJTPDFSF-UHFFFAOYSA-N
InChI	InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)
SMILES	NP(=O)(OCCC=O)N(CCCl)CCCl

MNX internals

InChI (mnx)	InChI=1/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)/t15?
SMILES (mnx)	[CH2:1]([CH:6]=[O: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)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04806 seedM:cpd04806 sabiork.compound:9749 sabiorkM:9749 CHEBI:2560 chebi:2560 kegg.compound:C07645 keggC:C07645 QMGUSPDJTPDFSF-UHFFFAOYSA-N	Aldophosphamide
vmhM:appmd vmhmetabolite:appmd QMGUSPDJTPDFSF-UHFFFAOYSA-N	Aldophosphamide (5R,14S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol
hmdb:HMDB0060433 QMGUSPDJTPDFSF-UHFFFAOYSA-N	Aldophosphamide 3-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propanal Cyclophosphamide-mustard Cyp-mustard aldophosphamide
hmdb:HMDB60433 keggC:M_C07645 seedM:M_cpd04806 vmhM:M_appmd	secondary/obsolete/fantasy identifier