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(Q74417703)
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English
ent-Photinus luciferin(1-)
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
monocarboxylic acid anion
0 references
mass
278.99035766391
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Photinus luciferin(1-)
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₁H₇N₂O₃S₂⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C([O-])C1CSC(c2nc3ccc(O)cc3s2)=N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/p-1/t7-/m0/s1
0 references
InChIKey
BJGNCJDXODQBOB-ZETCQYMHSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
135886639
1 reference
matched by identifier from
InChIKey
InChIKey
BJGNCJDXODQBOB-ZETCQYMHSA-M
ChEBI ID
138329
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/p-1/t7-/m0/s1
UniChem compound ID
17960795
1 reference
stated in
UniChem
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