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

Feedback

3-(imidazol-4-yl)-2-oxopropyl phosphate

	Properties	Image
MNX_ID	MNXM1456
reference	chebi:57766
formula	C₆H₇N₂O₅P
global charge	-2
mol weight	218.105
InChIKey	YCFFMSOLUMRAMD-UHFFFAOYSA-L
InChI	InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)/p-2
SMILES	O=C(COP(=O)([O-])[O-])CC1=CNC=N1

MNX internals

InChI (mnx)	InChI=1/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)
SMILES (mnx)	[CH2:1]([C:5]1=[CH:2][N:7]=[CH:4][NH:8]1)[C:6]([CH2:3][O:13][P:14]([OH:10])([OH:11])=[O:12])=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57766 chebi:57766 YCFFMSOLUMRAMD-UHFFFAOYSA-L	3-(imidazol-4-yl)-2-oxopropyl phosphate 3-(1H-imidazol-4-yl)-2-oxopropyl phosphate 3-(imidazol-4-yl)-2-oxopropyl phosphate dianion 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-)
bigg.metabolite:imacp biggM:imacp YCFFMSOLUMRAMD-UHFFFAOYSA-M	3-(Imidazol-4-yl)-2-oxopropyl phosphate
sabiork.compound:5486 sabiorkM:5486 kegg.compound:C01267 keggC:C01267 YCFFMSOLUMRAMD-UHFFFAOYSA-N	3-(Imidazol-4-yl)-2-oxopropyl phosphate Imidazole-acetol phosphate
vmhM:imacp vmhmetabolite:imacp YCFFMSOLUMRAMD-UHFFFAOYSA-L	3-(Imidazol-4-yl)-2-oxopropyl phosphate [3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid
CHEBI:16426 chebi:16426 YCFFMSOLUMRAMD-UHFFFAOYSA-N	3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate 3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate 3-(Imidazol-4-yl)-2-oxopropyl phosphate Imidazole-acetol phosphate
metacyc.compound:IMIDAZOLE-ACETOL-P metacycM:IMIDAZOLE-ACETOL-P YCFFMSOLUMRAMD-UHFFFAOYSA-L	3-(imidazol-4-yl)-2-oxopropyl phosphate imidazole acetol-P imidazole acetol-phosphate
hmdb:HMDB0012236 YCFFMSOLUMRAMD-UHFFFAOYSA-N	Imidazole acetol-phosphate 1-(1H-Imidazol-4-yl)-3-(phosphonooxy)-2-propanone 1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone 3-(1H-Imidazol-4-yl)-2-oxopropyl dihydrogen phosphate 3-(1H-imidazol-4-yl)-2-oxopropoxyphosphonic acid 3-(Imidazol-4-yl)-2-oxopropyl dihydrogen phosphate 3-(Imidazol-4-yl)-2-oxopropyl phosphate 3-(Imidazol-4-yl)-2-oxopropyl phosphoric acid Imidazole acetol phosphate Imidazole acetol-P Imidazole acetol-phosphoric acid Imidazole-acetol phosphate Imidazole-acetol phosphoric acid [3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid
seed.compound:cpd00930 seedM:cpd00930 YCFFMSOLUMRAMD-UHFFFAOYSA-L	imidazole acetol-phosphate 3-(Imidazol-4-yl)-2-oxopropyl phosphate 3-(imidazol-4-yl)-2-oxopropyl phosphate Imidazole-acetol phosphate imacp imidazole acetol-P imidazole-acetol- phosphate imidazole-acetol-phosphate
hmdb:HMDB12236 chebi:11736 chebi:1437 chebi:19941 biggM:M_imacp keggC:M_C01267 seedM:M_cpd00930 vmhM:M_imacp	secondary/obsolete/fantasy identifier