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CHEBI:44074 - molybdopterin
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ChEBI Name
molybdopterin
ChEBI ID
CHEBI:44074
Definition
A molybdopterin that is the
O
-phospho derivative of [(5a
R
,8
R
,9a
R
)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4
H
-pyrano[3,2-
g
]pteridin-8-yl]methanol.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44067, CHEBI:6969
Supplier Information
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Molfile
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Formula
C10H14N5O6PS2
Net Charge
0
Average Mass
395.35402
Monoisotopic Mass
395.01231
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)
/t2-
,3+,9-
/m1/s1
InChIKey
HPEUEJRPDGMIMY-IFQPEPLCSA-N
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 (
CHEBI:44074
)
is a
molybdopterins (
CHEBI:35203
)
molybdopterin (
CHEBI:44074
)
is conjugate acid of
molybdopterin(3−) (
CHEBI:58698
)
Incoming
molybdopterin(3−) (
CHEBI:58698
)
is conjugate base of
molybdopterin (
CHEBI:44074
)
IUPAC Name
[(5a
R
,8
R
,9a
R
)-
2-
amino-
4-
oxo-
6,7-
disulfanyl-
3,5,5a,8,9a,10-
hexahydro-
4
H
-
pyrano[3,2-
g
]pteridin-
8-
yl]methyl dihydrogen phosphate
Synonyms
Sources
dtpp
COMe
H
2
Dtpp-mP
ChEBI
H2Dtpp-mP
KEGG COMPOUND
Molybdopterin
KEGG COMPOUND
Pyranopterin
KEGG COMPOUND
Manual Xrefs
Databases
C05924
KEGG COMPOUND
CPD-4
MetaCyc
MOL000078
COMe
MTE
PDBeChem
View more database links
Last Modified
28 July 2014