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2-sulfenohercynine

MNXM164157 is deprecated and replaced by MNXM1100614

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100614

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₉H₁₅N₃O₃S

charge

mass

245.08341

reference

InChIKey

ZLPHHLCGSBYNCO-ZETCQYMHSA-N

InChI

InChI=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

SMILES

C[N+](C)(C)[C@@H](Cc1c[nH]c(SO)n1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136834 chebi:136834	2-sulfenohercynine ergothioneine sulfenate
kegg.compound:C21731 keggC:C21731	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	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