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

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4-hydroperoxycyclophosphamide

	Properties	Image
MNX_ID	MNXM37466
reference	chebi:196991
formula	C₇H₁₅Cl₂N₂O₄P
global charge	0
mol weight	293.087
InChIKey	VPAWVRUHMJVRHU-UHFFFAOYSA-N
InChI	InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
SMILES	O=P1(N(CCCl)CCCl)NC(OO)CCO1

MNX internals

InChI (mnx)	InChI=1/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/t7?,16?
SMILES (mnx)	[CH2:1]1[CH2:6][O:14][P:16]([N:11]([CH2:4][CH2:2][Cl:8])[CH2:5][CH2:3][Cl:9])(=[O:13])[NH:10][CH:7]1[O:15][OH:12]

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
reactome:R-ALL-5692409 reactomeM:R-ALL-5692409 CHEBI:196991 chebi:196991 VPAWVRUHMJVRHU-UHFFFAOYSA-N	4-hydroperoxycyclophosphamide 2-(Bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-2H-1,3,2-oxazaphosphorine 2-(bis(2-chloroethyl)amino)tetrahydro-2-oxideo-2H-1,3,2-oxazaphosphorin-4-yl hydroperoxide 2-[bis(2-chloroethyl)amino]-2-oxido-1,3,2-oxazaphosphinan-4-yl hydroperoxide 4-Hydroperoxycyclofosfamide 4-OOH Cyclophosphamide Perfosfamide (unspecified)
sabiork.compound:28322 sabiorkM:28322 VPAWVRUHMJVRHU-UHFFFAOYSA-N	4-Hydroperoxycyclophosphamide
hmdb:HMDB0246437 VPAWVRUHMJVRHU-UHFFFAOYSA-N	4-Hydroperoxycyclophosphamide 2-(Bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-2H-1,3,2-oxazaphosphorine 2-(Bis(2-chloroethyl)amino)tetrahydro-2-oxideo-2H-1,3,2-oxazaphosphorin-4-yl hydroperoxide 2-[bis(2-chloroethyl)amino]-4-hydroperoxy-1,3,2lambda⁵-oxazaphosphinan-2-one 4-Hydroperoxycyclofosfamide 4-OOH Cyclophosphamide 4-hydroperoxycyclophosphamide Perfosfamide Perfosfamide (unspecified)