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> Main
CHEBI:84296 - 2-
S
-cysteinyl-DOPA
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ChEBI Name
2-
S
-cysteinyl-DOPA
ChEBI ID
CHEBI:84296
ChEBI ASCII Name
2-S-cysteinyl-DOPA
Definition
An
L
-tyrosine derivative that is
L
-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Steve Jupe
Supplier Information
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Formula
C12H16N2O6S
Net Charge
0
Average Mass
316.33000
Monoisotopic Mass
316.07291
InChI
InChI=1S/C12H16N2O6S/c13-
6(11(17)
18)
3-
5-
1-
2-
8(15)
9(16)
10(5)
21-
4-
7(14)
12(19)
20/h1-
2,6-
7,15-
16H,3-
4,13-
14H2,(H,17,18)
(H,19,20)
/t6-
,7-
/m0/s1
InChIKey
IAGPESOLVJAEAG-BQBZGAKWSA-N
SMILES
N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
has functional parent
L
-dopa (
CHEBI:15765
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
has role
human urinary metabolite (
CHEBI:84087
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
S
-conjugate (
CHEBI:64987
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
S
-organyl-
L
-cysteine (
CHEBI:47912
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
L
-tyrosine derivative (
CHEBI:27177
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
amino dicarboxylic acid (
CHEBI:36164
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
aryl sulfide (
CHEBI:35683
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
catechols (
CHEBI:33566
)
2-
S
-cysteinyl-DOPA (
CHEBI:84296
)
is a
diamine (
CHEBI:23666
)
IUPAC Name
2-{[(2
R
)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxy-
L
-tyrosine
Synonyms
Sources
2-
S
-cysteinyl-3,4-dihydroxyphenylalanine
ChEBI
2-S-Cysteinyldopa
ChemIDplus
2-
S
-cysteinyldopa
ChEBI
Registry Numbers
Types
Sources
2179160
Reaxys Registry Number
Reaxys
25565-17-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
2438872
PubMed citation
Europe PMC
403909
PubMed citation
Europe PMC
408183
PubMed citation
Europe PMC
6409012
PubMed citation
Europe PMC
6784771
PubMed citation
Europe PMC
891724
PubMed citation
SUBMITTER
Last Modified
13 March 2015