Orfamide A; 10-N-Deacyl, 10-N-(3-hydroxydodecanoyl)
AlkaPlorer ID: AK308699
Synonym: Orfamide C
IUPAC Name: 5-[[21-butan-2-yl-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[2-(3-hydroxydodecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CCCCCCCCCC(O)CC(O)=NC(CC(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1C(O)=NC(C(C)CC)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/C62H110N10O17/c1-15-17-18-19-20-21-22-23-40(75)30-48(76)63-42(26-33(3)4)54(80)64-41(24-25-49(77)78)53(79)72-52-39(14)89-62(88)50(37(11)12)70-59(85)47(32-74)69-56(82)44(28-35(7)8)65-55(81)43(27-34(5)6)66-58(84)46(31-73)68-57(83)45(29-36(9)10)67-60(86)51(38(13)16-2)71-61(52)87/h33-47,50-52,73-75H,15-32H2,1-14H3,(H,63,76)(H,64,80)(H,65,81)(H,66,84)(H,67,86)(H,68,83)(H,69,82)(H,70,85)(H,71,87)(H,72,79)(H,77,78)
InChIKey: STDTUHSFISWYFO-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: 1267.6149999999996
TPSA？: 450.1900000000001
MolLogP？: 9.810300000000003
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|