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2-sulfenohercynine

MNXM164157 is deprecated and replaced by MNXM1100614
PropertiesImage
MNX_IDMNXM1100614 Image of MNXM1100614
referencechebi:136834
formulaC9H15N3O3S
global charge0
mol weight245.304
InChIKeyZLPHHLCGSBYNCO-ZETCQYMHSA-N
InChIInChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
SMILESC[N+](C)(C)[C@@H](CC1=CNC(SO)=N1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1 Image of MNXM1100614
SMILES (mnx)[CH3:1][N+:12]([CH3:2])([CH3:3])[C@@H:7]([CH2:4][C:6]1=[CH:5][N:10]=[C:9]([S:16][O-:15])[NH:11]1)[C:8](=[O:13])[OH:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136834
chebi:136834
ZLPHHLCGSBYNCO-ZETCQYMHSA-N 		2-sulfenohercynine
ergothioneine sulfenate

CHEBI:181946
chebi:181946
ZLPHHLCGSBYNCO-ZETCQYMHSA-O 		(2~{S})-3-(2-Oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
[(1S)-1-carboxy-2-(2-hydroxysulanyl-1H-imidazol-5-yl)ethyl]-trimethylazanium

kegg.compound:C21731
keggC:C21731
ZLPHHLCGSBYNCO-ZETCQYMHSA-O 		2-(Hydroxysulfanyl)hercynine
2-Sulfenohercynine
Nalpha,Nalpha,Nalpha-Trimethyl-2-(hydroxysulfanyl)-L-histidine

metacyc.compound:CPD-19388
metacycM:CPD-19388
seed.compound:cpd33275
seedM:cpd33275
ZLPHHLCGSBYNCO-ZETCQYMHSA-N 		2-(hydroxysulfanyl)hercynine
2-sulfenohercynine
Nalpha,Nalpha,Nalpha-trimethyl-2-sulfeno-L-histidine
ergothioneine sulfenate
ergothioneine sulfenic acid

keggC:M_C21731
seedM:M_cpd33275 		secondary/obsolete/fantasy identifier