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(4R,5S)-dethiobiotin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1020

	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	16

formula

C₁₀H₁₇N₂O₃

charge

-1

mass

213.25366

reference

InChIKey

AUTOLBMXDDTRRT-JGVFFNPUSA-M

InChI

InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m0/s1

SMILES

C[C@@H]1NC(=O)N[C@@H]1CCCCCC([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:42280 chebi:42280	(4R,5S)-dethiobiotin (+)-dethiobiotin (4R,5S)-5-methyl-2-oxo-4-imidazolidinehexanoic acid (4R-cis)-5-methyl-2-oxo-4-imidazolidinehexanoic acid 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid d-dethiobiotin desthiobiotin
bigg.metabolite:dtbt biggM:dtbt	Dethiobiotin
hmdb:HMDB0003581	Dethiobiotin (+)-Dethiobiotin (4R,5S)-5-Methyl-2-oxo-4-imidazolidinehexanoate (4R,5S)-5-Methyl-2-oxo-4-imidazolidinehexanoic acid (4R,5S)-dethiobiotin (4R-cis)-5-Methyl-2-oxo-4-imidazolidinehexanoate (4R-cis)-5-Methyl-2-oxo-4-imidazolidinehexanoic acid 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid D-Dethiobiotin Desthiobiotin Desthiobiotin, (4R-cis)-isomer Desthiobiotin, (cis)-(+-)-isomer
seed.compound:cpd01311 seedM:cpd01311	Dethiobiotin DTB Desthiobiotin desthiobiotin dethiobiotin dtbt
sabiork.compound:5879 sabiorkM:5879 kegg.compound:C01909 keggC:C01909	Dethiobiotin Desthiobiotin
CHEBI:57861 chebi:57861	dethiobiotin 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate dethiobiotin anion dethiobiotin(1-)
CHEBI:16691 chebi:16691	dethiobiotin 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid Desthiobiotin Dethiobiotin
metacyc.compound:DETHIOBIOTIN metacycM:DETHIOBIOTIN	dethiobiotin DTB desthiobiotin
hmdb:HMDB03581 chebi:14132 chebi:23649 chebi:36990 chebi:42279 chebi:4457 biggM:M_dtbt keggC:M_C01909 seedM:M_cpd01311	secondary/obsolete/fantasy identifier