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(Q82935846)
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English
Fmn semiquinone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pteridine
0 references
mass
456.104614882
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
flavin mononucleotide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₁N₄O₉P
0 references
canonical SMILES
O=C1N=C(O)C2=NC3=CC(=C(C=C3N(C2=N1)CC(O)C(O)C(O)COP(=O)(O)O)C)C
0 references
isomeric SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m1/s1
0 references
InChIKey
FVTCRASFADXXNN-MBNYWOFBSA-N
0 references
CAS Registry Number
34469-63-1
0 references
PubChem CID
8965
0 references
UniChem compound ID
156205
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90956007
0 references
DSSTOX compound identifier
DTXCID801383986
0 references
Probes And Drugs ID
PD062241
0 references
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