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(Q77513685)
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English
Curacin D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(11-Methoxytetradeca-1,5,7,13-tetraenyl)-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole
1 reference
based on heuristic
inferred from SMILES
4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
1 reference
based on heuristic
inferred from SMILES
mass
359.22828567600004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Curacin D
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4S)-4-[(1Z,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₃NOS
0 references
canonical SMILES
N1=C(SCC1C=CCCC=CC=CCCC(OC)CC=C)C2CC2C
0 references
isomeric SMILES
C=CCC(CC/C=C/C=C/CC/C=C\C1CSC([C@@H]2C[C@@H]2C)=N1)OC
0 references
Identifiers
InChI
InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11-/t18-,19?,20?,21+/m0/s1
0 references
InChIKey
SSJXRCYFOOLEKV-RDTKOLQBSA-N
2 references
stated in
PubChem
PubChem CID
10546404
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10546404
language of work or name
English
PubChem CID
10546404
2 references
stated in
PubChem
PubChem CID
10546404
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SSJXRCYFOOLEKV-RDTKOLQBSA-N
ChEBI ID
187110
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H33NOS/c1-4-13-20(24-3)15-12-10-8-6-5-7-9-11-14-19-17-25-22(23-19)21-16-18(21)2/h4-6,8,10-11,14,18-21H,1,7,9,12-13,15-17H2,2-3H3/b6-5+,10-8+,14-11-/t18-,19?,20?,21+/m0/s1
UniChem compound ID
32578464
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013187
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSJXRCYFOOLEKV-RDTKOLQBSA-N
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