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2-(L-cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile

PropertiesImage
MNX_IDMNXM11868 Image of MNXM11868
referencechebi:79191
formulaC13H13N3O2S
global charge0
mol weight275.333
InChIKeyXNBDZHNCVGUXMR-NUHJPDEHSA-N
InChIInChI=1S/C13H13N3O2S/c14-5-12(19-7-10(15)13(17)18)9-6-16-11-4-2-1-3-8(9)11/h1-4,6,10,12,16H,7,15H2,(H,17,18)/t10-,12?/m0/s1
SMILESN#CC(SC[C@H]([NH3+])C(=O)[O-])C1=CNC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C13H13N3O2S/c14-5-12(19-7-10(15)13(17)18)9-6-16-11-4-2-1-3-8(9)11/h1-4,6,10,12,16H,7,15H2,(H,17,18)/t10-,12?/m0/s1 Image of MNXM11868
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:11]2[C:8](=[CH:3]1)[C:9]([CH:12]([C:5]#[N:14])[S:19][CH2:7][C@@H:10]([C:13](=[O:17])[OH:18])[NH2:15])=[CH:6][NH:16]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79191
chebi:79191
XNBDZHNCVGUXMR-NUHJPDEHSA-N 		2-(L-cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile
(2R)-2-azaniumyl-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoate
L-Cys(IAN) zwitterion

kegg.compound:C21719
keggC:C21719
XNBDZHNCVGUXMR-NUHJPDEHSA-N 		2-(L-Cystein-S-yl)-2-(1H-indol-3-yl)acetonitrile

metacyc.compound:CPD-12636
metacycM:CPD-12636
XNBDZHNCVGUXMR-NUHJPDEHSA-N 		2-(cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile
2-amino-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoic acid
Cys(IAN)
IAN-cysteine conjugate
indole-3-acetonitrile-cysteine conjugate

seed.compound:cpd23506
seedM:cpd23506
XNBDZHNCVGUXMR-NUHJPDEHSA-N 		2-amino-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoic acid
2-(cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile
Cys(IAN)
IAN-cysteine conjugate
indole-3-acetonitrile-cysteine conjugate

CHEBI:64988
chebi:64988
XNBDZHNCVGUXMR-NUHJPDEHSA-N 		L-Cys(IAN)
Cys(IAN)
IAN-cysteine conjugate
S-[cyano(1H-indol-3-yl)methyl]-L-cysteine
indole-3-acetonitrile-cysteine conjugate

keggC:M_C21719
seedM:M_cpd23506 		secondary/obsolete/fantasy identifier