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(Q75063795)
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Aspergillamide A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-{2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido}-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid
1 reference
based on heuristic
inferred from SMILES
mass
474.263090948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Aspergillamide B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₄N₄O₃
0 references
canonical SMILES
CC(=O)NC(CC(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]c2ccccc12
0 references
isomeric SMILES
CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N/C=C\C2=CNC3=CC=CC=C32)NC(=O)C
0 references
found in taxon
Aspergillus
2 references
stated in
Aspergillamides A and B: Modified cytotoxic tripeptides produced by a marine fungus of the genus Aspergillus
stated in
Aspergillamides A and B: Modified cytotoxic tripeptides produced by a marine fungus of the genus Aspergillus
Identifiers
InChI
InChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)/b15-14-/t25-,26-/m0/s1
0 references
InChIKey
UTJKZLHQWWNPPP-JTVZBIPBSA-N
2 references
stated in
PubChem
PubChem CID
6917355
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
6917355
language of work or name
English
PubChem CID
6917355
2 references
stated in
PubChem
PubChem CID
6917355
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UTJKZLHQWWNPPP-JTVZBIPBSA-N
ChEBI ID
198938
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)/b15-14-/t25-,26-/m0/s1
UniChem compound ID
32212259
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001608
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UTJKZLHQWWNPPP-JTVZBIPBSA-N
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