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Aeruginosin 298-B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6-Hydroxy-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
1 reference
based on heuristic
inferred from SMILES
Aeruginosin 298-B
1 reference
based on heuristic
inferred from SMILES
mass
461.25258584
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Aeruginosin EI461
1 reference
based on heuristic
inferred from InChI
Aeruginosin EI461
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₅N₃O₆
0 references
canonical SMILES
CC(C)CC(NC(=O)C(O)Cc1ccc(O)cc1)C(=O)N1C(C(N)=O)CC2CCC(O)CC21
0 references
isomeric SMILES
CC(C)C[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)N)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O
0 references
found in taxon
Microcystis aeruginosa
1 reference
stated in
Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa
Cyanobacterium
1 reference
stated in
Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa
Microcystis
1 reference
stated in
Total Synthesis and Reassignment of Configuration of Aeruginosin 298-A
Identifiers
InChI
InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17+,18+,19-,20-,21+/m0/s1
0 references
InChIKey
FEBDAAYWFMTVBF-XDUBPDLBSA-N
2 references
stated in
PubChem
PubChem CID
102376881
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
102376881
language of work or name
English
PubChem CID
102376881
2 references
stated in
PubChem
PubChem CID
102376881
language of work or name
English
matched by identifier from
InChIKey
InChIKey
FEBDAAYWFMTVBF-XDUBPDLBSA-N
ChEBI ID
201119
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17+,18+,19-,20-,21+/m0/s1
UniChem compound ID
96920174
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201047291
1 reference
matched by identifier from
InChIKey
InChIKey
FEBDAAYWFMTVBF-XDUBPDLBSA-N
Natural Product Atlas ID
NPA004140
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FEBDAAYWFMTVBF-XDUBPDLBSA-N
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