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CDP-1L-myo-inositol

PropertiesImage
MNX_IDMNXM2648 Image of MNXM2648
referencechebi:62573
formulaC15H23N3O16P2
global charge-2
mol weight563.302
InChIKeyFWZKVMBRYZSGFS-WRUQXNMMSA-L
InChIInChI=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
SMILESNc1ccn([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
MNX internals
InChI (mnx)InChI=1/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)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1 Image of MNXM2648
SMILES (mnx)[C@H:1]1([CH3:9])[C@H:2]([CH:6]2[C:7](=[CH2:11])[CH:10]=[C:14]([CH3:15])[CH:12]=[CH:8]2)[CH2:3][C@H:4]([NH:16][NH:17][O:24]([NH:18][O:22](=[O:20])([O:21][O@:26]2[O@:27]([OH:28])[O@@:29]([OH:30])[O@:33]([OH:34])[O@@:31]([OH:32])[P@:35]2[PH2:36])[OH:23])(=[O:19])[OH:25])[C@H:5]1[CH3:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62573
chebi:62573
FWZKVMBRYZSGFS-WRUQXNMMSA-L 		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
FWZKVMBRYZSGFS-WRUQXNMMSA-N 		CDP-1L-myo-inositol

CHEBI:62566
chebi:62566
FWZKVMBRYZSGFS-WRUQXNMMSA-N 		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
FWZKVMBRYZSGFS-WRUQXNMMSA-L 		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