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biotinate sulfoxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM3932

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

formula

C₁₀H₁₅N₂O₄S

charge

-1

mass

259.0758

reference

InChIKey

KCSKCIQYNAOBNQ-YBSFLMRUSA-M

InChI

InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-,17?/m0/s1

SMILES

O=C([O-])CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62046 chebi:62046	biotinate sulfoxide 5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate D-biotin sulfoxide biotin sulfoxide biotinate S-oxide biotinate sulfoxide(1-)
kegg.compound:C20386 keggC:C20386	Biotin sulfoxide
bigg.metabolite:btnso biggM:btnso	D-biotin d-sulfoxide
CHEBI:62193 chebi:62193	biotin sulfoxide 5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid biotin S-oxide
seed.compound:cpd15414 seedM:cpd15414	d-biotin d-sulfoxide 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)- 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS-(3aalpha,4beta,5alpha,6aalpha))- Biotin sulfoxide biotin sulfoxide btnso
metacyc.compound:CPD-722 metacycM:CPD-722	d-biotin d-sulfoxide 5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate biotin sulfoxide
biggM:M_btnso keggC:M_C20386 seedM:M_cpd15414	secondary/obsolete/fantasy identifier