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

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cyclophosphamide

	Properties	Image
MNX_ID	MNXM147071
reference	chebi:4027
formula	C₇H₁₅Cl₂N₂O₂P
global charge	0
mol weight	261.089
InChIKey	CMSMOCZEIVJLDB-UHFFFAOYSA-N
InChI	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
SMILES	O=P1(N(CCCl)CCCl)NCCCO1

MNX internals

InChI (mnx)	InChI=1/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14?
SMILES (mnx)	[CH2:1]1[CH2:4][NH:10][P:14]([N:11]([CH2:5][CH2:2][Cl:8])[CH2:6][CH2:3][Cl:9])(=[O:12])[O:13][CH2:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4027 chebi:4027 CMSMOCZEIVJLDB-UHFFFAOYSA-N	cyclophosphamide (+-)-Cyclophosphamide (RS)-Cyclophosphamide 2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester Cyclophosphamide anhydrous N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide N,N-bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide
sabiork.compound:9056 sabiorkM:9056 kegg.compound:C07888 keggC:C07888 CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide
kegg.drug:D07760 keggD:D07760 CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (INN) Cyclophosphamide (TN) Cytoxan (TN)
seed.compound:cpd30046 seedM:cpd30046	Cyclophosphamide anhydrous
seed.compound:cpd04950 seedM:cpd04950 CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide anhydrous C07888
hmdb:HMDB0014672 CMSMOCZEIVJLDB-UHFFFAOYSA-N	Cyclophosphamide (+,-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate (+-)-Cyclophosphamide (RS)-Cyclophosphamide 2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide 2-[bis(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one Anhydrous, cyclophosphamide Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester Cyclophosphamide anhydrous Cyclophosphamide monohydrate Cyclophosphamide, (R)-isomer Cyclophosphamide, (S)-isomer Cyclophosphane Cytophosphan Cytophosphane Cytoxan Endoxan Monohydrate, cyclophosphamide N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide Neosar Procytox Sendoxan
hmdb:HMDB14672 keggC:M_C07888 keggD:M_D07760 seedM:M_cpd04950 seedM:M_cpd30046	secondary/obsolete/fantasy identifier