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CHEBI:58698 - molybdopterin(3−)
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ChEBI Name
molybdopterin(3−)
ChEBI ID
CHEBI:58698
ChEBI ASCII Name
molybdopterin(3-)
Definition
The trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H11N5O6PS2
Net Charge
-3
Average Mass
392.32800
Monoisotopic Mass
391.99048
InChI
InChI=1S/C10H14N5O6PS2/c11-
10-
14-
7-
4(8(16)
15-
10)
12-
3-
6(24)
5(23)
2(21-
9(3)
13-
7)
1-
20-
22(17,18)
19/h2-
3,9,12,23-
24H,1H2,(H2,17,18,19)
(H4,11,13,14,15,16)
/p-
3/t2-
,3+,9-
/m1/s1
InChIKey
HPEUEJRPDGMIMY-IFQPEPLCSA-K
SMILES
[H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C([S-])[C@@H](COP([O-])([O-])=O)O2
ChEBI Ontology
Outgoing
molybdopterin(3−) (
CHEBI:58698
)
is a
organophosphate oxoanion (
CHEBI:58945
)
molybdopterin(3−) (
CHEBI:58698
)
is conjugate base of
molybdopterin (
CHEBI:44074
)
Incoming
molybdopterin (
CHEBI:44074
)
is conjugate acid of
molybdopterin(3−) (
CHEBI:58698
)
IUPAC Name
[(5a
R
,8
R
,9a
R
)-
2-
amino-
4-
oxo-
6-
sulfanyl-
7-
sulfido-
3,5,5a,8,9a,10-
hexahydro-
4
H
-
pyrano[3,2-
g
]pteridin-
8-
yl]methyl phosphate
Synonym
Source
molybdopterin
UniProt
Manual Xref
Database
CPD-4
MetaCyc
View more database links
Last Modified
11 November 2011