Orfamide A; 7-Valine analogue
AlkaPlorer ID: AK308700
Synonym: Orfamide B
IUPAC Name: 5-[[6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[2-(3-hydroxytetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)CC(O)=NC(CC(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1C(O)=NC(C(C)C)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C(C)C)C(=O)OC1C
InChI: InChI=1S/C63H112N10O17/c1-15-16-17-18-19-20-21-22-23-24-41(76)31-49(77)64-43(27-34(2)3)55(81)65-42(25-26-50(78)79)54(80)73-53-40(14)90-63(89)52(39(12)13)72-60(86)48(33-75)70-57(83)45(29-36(6)7)66-56(82)44(28-35(4)5)67-59(85)47(32-74)69-58(84)46(30-37(8)9)68-61(87)51(38(10)11)71-62(53)88/h34-48,51-53,74-76H,15-33H2,1-14H3,(H,64,77)(H,65,81)(H,66,82)(H,67,85)(H,68,87)(H,69,84)(H,70,83)(H,71,88)(H,72,86)(H,73,80)(H,78,79)
InChIKey: FPMIEPCWEZBKGP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Virginia | Colubridae | Squamata | Lepidosauria | Chordata | Metazoa | Eukaryota |
| Pseudomonas fluorescens | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1281.6419999999998
TPSA？: 450.1900000000001
MolLogP？: 10.200400000000004
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|