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Pseudotrienic acid A

AlkaPlorer ID: AK036328

Synonym: None

IUPAC Name: (2E,4E,6E)-9-[[(2S,3R)-3-hydroxy-4-[[(3E,5E)-7-hydroxy-4-methylhexadeca-3,5-dienoyl]amino]-2-methylbutanoyl]amino]nona-2,4,6-trienoic acid

Structure

SMILES: CCCCCCCCCC(O)/C=C/C(C)=C/CC(O)=NC[C@H](O)[C@H](C)C(O)=NCC/C=C/C=C/C=C/C(=O)O

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InChI: InChI=1S/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27?,28-/m0/s1

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InChIKey: WBVCUTBXBMPSBQ-UQLNNEGESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pseudomonas sp. Pseudomonas Pseudomonadaceae Pseudomonadales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 546.7490000000004

TPSA？: 142.94

MolLogP？: 6.433900000000007

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus Activity nan None 10.1021/np050243a
Candida albicans Candida albicans Activity nan None 10.1021/np050243a
Drechslera Drechslera Activity nan None 10.1021/np050243a
Fusarium culmorum Fusarium culmorum Activity nan None 10.1021/np050243a
Fusarium oxysporum Fusarium oxysporum Activity nan None 10.1021/np050243a
Heterobasidion annosum Heterobasidion annosum Activity nan None 10.1021/np050243a
Microsporum canis Microsporum canis Activity nan None 10.1021/np050243a
Pseudomonas savastanoi Pseudomonas savastanoi Activity nan None 10.1021/np050243a
Pseudomonas syringae Pseudomonas syringae MIC 70.0 ug.mL-1 10.1021/np050243a
Staphylococcus aureus Staphylococcus aureus MIC 70.0 ug.mL-1 10.1021/np050243a

Metabolism Information