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5-S-Cysteinyldopamine

PropertiesImage
MNX_IDMNXM744453 Image of MNXM744453
referencechebi:166453
formulaC11H16N2O4S
global charge0
mol weight272.326
InChIKeyBZYHBWCVRKSWDB-ZETCQYMHSA-N
InChIInChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
SMILESNCCC1=CC(SC[C@H](N)C(=O)O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1 Image of MNXM744453
SMILES (mnx)[CH2:1]([CH2:2][NH2:12])[C:6]1=[CH:3][C:8]([OH:14])=[C:10]([OH:15])[C:9]([S:18][CH2:5][C@@H:7]([C:11](=[O:16])[OH:17])[NH2:13])=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166453
chebi:166453
BZYHBWCVRKSWDB-ZETCQYMHSA-N
5-S-Cysteinyldopamine
(2R)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]sulanylpropanoic acid

bigg.metabolite:5cysdopa
biggM:5cysdopa
vmhM:5cysdopa
vmhmetabolite:5cysdopa
BZYHBWCVRKSWDB-ZETCQYMHSA-O
5-S-Cysteinyldopamine

biggM:M_5cysdopa
vmhM:M_5cysdopa
secondary/obsolete/fantasy identifier