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S-(5-acetamido-2-hydroxyphenyl)cysteine

Properties Image (std) Image (mnx) Occurences in reactions MNX_ID MNXM681236 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 5 reference chebi:133066 formula (std) C11H14N2O4S global charge (std) 0 mol weight (std) 270.31 InChIKey (std) LLHICPSCVFRWDT-UHFFFAOYSA-N InChI (std) InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17) InChI (mnx) InChI=1/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8? SMILES (std) CC(=O)NC1=CC=C(O)C(SCC(N)C(=O)O)=C1 SMILES (mnx) [CH3:1][C:6](=[N:13][C:7]1=[CH:4][C:10]([S:18][CH2:5][CH:8]([C:11](=[O:16])[OH:17])[NH2:12])=[C:9]([OH:15])[CH:3]=[CH:2]1)[OH:14]

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Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-9753640 reactomeM:R-ALL-9753640 CHEBI:133066 chebi:133066 LLHICPSCVFRWDT-UHFFFAOYSA-N	S-(5-acetamido-2-hydroxyphenyl)cysteine 3-(cystein-S-yl)acetaminophen 3-(cystein-S-yl)paracetamol acetaminophen cysteine conjugate cysteine S-acetaminophen conjugate cysteine S-paracetamol conjugate paracetamol cysteine conjugate
bigg.metabolite:cysacmp biggM:cysacmp LLHICPSCVFRWDT-UHFFFAOYSA-N	Cysteine-conjugate-acetaminophen
hmdb:HMDB0242116 LLHICPSCVFRWDT-UHFFFAOYSA-N	S-(5-Acetamido-2-hydroxyphenyl)cysteine 2-amino-3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]propanoic acid 3-(Cystein-S-yl)acetaminophen 3-(Cystein-S-yl)paracetamol Acetaminophen cysteine conjugate Acetaminophen cysteine conjugic acid Cysteine S-acetaminophen conjugate Cysteine S-acetaminophen conjugic acid Cysteine S-paracetamol conjugate Cysteine S-paracetamol conjugic acid Paracetamol cysteine conjugate Paracetamol cysteine conjugic acid
reactome:R-ALL-9753653 reactomeM:R-ALL-9753653 CHEBI:133067 chebi:133067 LLHICPSCVFRWDT-UHFFFAOYSA-N	S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion 3-(cystein-S-yl)acetaminophen zwitterion 3-(cystein-S-yl)paracetamol zwitterion 3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]-2-azaniumylpropanoate acetaminophen cysteine conjugate zwitterion cysteine S-acetaminophen conjugate zwitterion cysteine S-paracetamol conjugate zwitterion paracetamol cysteine conjugate zwitterion
vmhM:cysacmp vmhM:cysacmp vmhmetabolite:cysacmp vmhmetabolite:cysacmp LLHICPSCVFRWDT-UHFFFAOYSA-N	cysteine-conjugate-acetaminophen (2R)-2-amino-3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]propanoic acid
biggM:M_cysacmp vmhM:M_cysacmp	secondary/obsolete/fantasy identifier