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Pseudotrienic acid B

AlkaPlorer ID: AK057648

Synonym: None

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

Structure

SMILES: CCCCCCCC(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/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25?,26-/m0/s1

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InChIKey: KUBFEPFJIGSSKC-DXIDGMHMSA-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: 518.6950000000003

TPSA？: 142.94

MolLogP？: 5.653700000000005

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