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CDP-1L-myo-inositol

Properties

Image

Occurences in reactions

MNX_ID

MNXM2648

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₁₅H₂₃N₃O₁₆P₂

charge

-2

mass

563.301262

reference

chebi:62573

InChIKey

FWZKVMBRYZSGFS-WRUQXNMMSA-L

InChI

InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/p-2/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1

SMILES

Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)n1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62573 chebi:62573	CDP-1L-myo-inositol 5'-O-{[({[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)oxy]phosphinato}cytidine CDP-1L-myo-inositol(2-) CDP-3D-myo-inositol(2-)
kegg.compound:C19794 keggC:C19794	CDP-1L-myo-inositol
CHEBI:62566 chebi:62566	CDP-1L-myo-inositol 5'-O-{hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidine CDP-3D-myo-inositol
metacyc.compound:CPD-12855 metacycM:CPD-12855 seed.compound:cpd21039 seedM:cpd21039	CDP-1L-myo-inositol CDP-inositol
bigg.metabolite:cdp_inost biggM:cdp_inost	CDP-Inositol
biggM:M_cdp_inost keggC:M_C19794 seedM:M_cpd21039	secondary/obsolete/fantasy identifier