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2-Methyl-1-hydroxybutyl-ThPP

MNXM6733 is deprecated and here replaced by MNXM739352
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739352

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₁₇H₂₉N₄O₈P₂S

charge

mass

511.11758

reference

chebi:80223

InChIKey

CUBSXOWPMAOFDG-MYHCZTBNSA-O

InChI

InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1

SMILES

CC[C@H](C)C(O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80223 chebi:80223 kegg.compound:C15978 keggC:C15978	2-Methyl-1-hydroxybutyl-ThPP 2-Methyl-1-hydroxybutyl-TPP
seed.compound:cpd14702 seedM:cpd14702	2-Methyl-1-hydroxybutyl-TPP 2-Methyl-1-hydroxybutyl-ThPP
hmdb:HMDB0012310	2-Methyl-1-hydroxybutyl-ThPP 2-Methyl-1-hydroxybutyl-TPP 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(2S)-1-hydroxy-2-methylbutyl]-4-methyl-1,3-thiazol-3-ium
hmdb:HMDB12310 keggC:M_C15978 seedM:M_cpd14702	secondary/obsolete/fantasy identifier