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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81392 - Cysteinyldopa
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ChEBI Ontology
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ChEBI Name
Cysteinyldopa
ChEBI ID
CHEBI:81392
Stars
This entity has been manually annotated by a third party.
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)
1-
5-
2-
8(15)
10(16)
9(3-
5)
21-
4-
7(14)
12(19)
20/h2-
3,6-
7,15-
16H,1,4,13-
14H2,(H,17,18)
(H,19,20)
/t6-
,7-
/m0/s1
InChIKey
SXISMOAILJWTID-BQBZGAKWSA-N
SMILES
N[C@@H](CSc1cc(C[C@H](N)C(O)=O)cc(O)c1O)C(O)=O
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
)
Biological Role
(s):
molecular messenger
(via
monoamine molecular messenger
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Cysteinyldopa (
CHEBI:81392
)
is a
catecholamine (
CHEBI:33567
)
Cysteinyldopa (
CHEBI:81392
)
is tautomer of
5-
S
-cysteinyldopa zwitterion (
CHEBI:195517
)
Incoming
5-
S
-cysteinyldopa zwitterion (
CHEBI:195517
)
is tautomer of
Cysteinyldopa (
CHEBI:81392
)
Synonym
Source
5-S-Cysteinyl-DOPA
KEGG COMPOUND
Manual Xrefs
Databases
C17935
KEGG COMPOUND
LSM-37225
LINCS
View more database links
Registry Number
Type
Source
19641-92-0
CAS Registry Number
KEGG COMPOUND
Last Modified
26 February 2016