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biotin sulfone

PropertiesImage
MNX_IDMNXM44335 Image of MNXM44335
referencechebi:74092
formulaC10H16N2O5S
global charge0
mol weight276.314
InChIKeyQPFQYMONYBAUCY-ZKWXMUAHSA-N
InChIInChI=1S/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
SMILESO=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O
MNX internals
InChI (mnx)InChI=1/C10H16N2O5S/c13-8(14)4-2-1-3-7-9-6(5-18(7,16)17)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 Image of MNXM44335
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:8](=[O:13])[OH:14])[CH2:3][C@H:7]1[C@@H:9]2[C@H:6]([CH2:5][S:18]1(=[O:16])=[O:17])[N:11]=[C:10]([OH:15])[NH:12]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74092
chebi:74092
QPFQYMONYBAUCY-ZKWXMUAHSA-N 		biotin sulfone
5,5-Dioxide Biotin
5-[(3aS,4S,6aR)-5,5-dioxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
[3aS-(3aa,4b,6aa)]-5,5-dioxide-hexahydro-2-oxo-1H-Thieno[3,4-D]imidazole-4-pentanoic acid

seed.compound:cpd31075
seedM:cpd31075
kegg.compound:C20387
keggC:C20387
QPFQYMONYBAUCY-ZKWXMUAHSA-M
QPFQYMONYBAUCY-ZKWXMUAHSA-N 		Biotin sulfone
hmdb:HMDB0004818
QPFQYMONYBAUCY-ZKWXMUAHSA-N 		Biotin sulfone
5,5-Dioxide biotin
5-((3AS,4S,6ar)-5,5-dioxido-2-oxohexahydro-1H-thieno(3,4-D)imidazol-4-yl)pentanoic acid
5-[(3aS,4S,6aR)-2,5,5-trioxo-hexahydro-1H-5lambda⁶-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
5-[(3aS,4S,6aR)-2,5,5-trioxo-hexahydro-5lambda⁶-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
Biotin sulphone
Bisnorbiotin methyl ketone
[3AS-(3aa,4b,6aa)]- 5,5-dioxide-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoate
[3AS-(3aa,4b,6aa)]- 5,5-dioxide-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoic acid
[3AS-(3aa,4b,6aa)]-5,5-dioxide-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoate
[3AS-(3aa,4b,6aa)]-5,5-dioxide-hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanoic acid
[3AS-(3aa,4b,6aa)]-tetrahydro-4-(3-oxobutyl)-1H-thieno[3,4-D]imidazol-2(3H)-one

hmdb:HMDB04818
keggC:M_C20387
seedM:M_cpd31075 		secondary/obsolete/fantasy identifier