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

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diisopropyl phosphate

	Properties	Image
MNX_ID	MNXM4575
reference	chebi:57896
formula	C₆H₁₄O₄P
global charge	-1
mol weight	181.148
InChIKey	WZPMZMCZAGFKOC-UHFFFAOYSA-M
InChI	InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)/p-1
SMILES	CC(C)OP(=O)([O-])OC(C)C

MNX internals

InChI (mnx)	InChI=1/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)
SMILES (mnx)	[CH3:1][CH:5]([CH3:2])[O:9][P:11]([OH:7])(=[O:8])[O:10][CH:6]([CH3:3])[CH3:4]

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:57896 chebi:57896 WZPMZMCZAGFKOC-UHFFFAOYSA-M	diisopropyl phosphate bis(propan-2-yl) phosphate diisopropyl phosphate anion diisopropyl phosphate(1-)
sabiork.compound:1735 sabiorkM:1735 kegg.compound:C03113 keggC:C03113 vmhM:disop vmhmetabolite:disop WZPMZMCZAGFKOC-UHFFFAOYSA-N	Diisopropyl phosphate
seed.compound:cpd01996 seedM:cpd01996 WZPMZMCZAGFKOC-UHFFFAOYSA-M	Diisopropyl phosphate 2-(hydroxy-isopropoxy-phosphinoyl)oxypropane diisopropyl phosphate
hmdb:HMDB0251359 WZPMZMCZAGFKOC-UHFFFAOYSA-N	Diisopropylphosphate Diisopropyl phosphate Diisopropyl phosphoric acid Diisopropylphosphoric acid Phosphate, bis(1-methylethyl) ester Phosphoric acid, bis(1-methylethyl) ester bis(propan-2-yloxy)phosphinic acid diisopropylphosphate
CHEBI:16785 chebi:16785 WZPMZMCZAGFKOC-UHFFFAOYSA-N	diisopropyl hydrogen phosphate Diisopropyl phosphate Diisopropylphosphate Phosphoric acid, bis(1-methylethyl) ester
metacyc.compound:DIISOPROPYL-PHOSPHATE metacycM:DIISOPROPYL-PHOSPHATE WZPMZMCZAGFKOC-UHFFFAOYSA-M	diisopropyl phosphate 2-(hydroxy-isopropoxy-phosphinoyl)oxypropane
chebi:14167 chebi:23797 chebi:4599 keggC:M_C03113 seedM:M_cpd01996 vmhM:M_disop	secondary/obsolete/fantasy identifier