Antibiotic FR 901379; 4C-Demethyl, 4A-deoxy, 7A-O-desulfo, 8A-sulfo
AlkaPlorer ID: AK288413
Synonym: Antibiotic FR 220899, FR 220899
IUPAC Name: [4-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NC1CC(O)C(O)N=C(O)C2C(O)CCN2C(=O)C(C(O)CC(=N)O)N=C(O)C(C(O)CC2=CC=C(OS(=O)(=O)O)C(O)=C2)N=C(O)C2CC(O)CN2C(=O)C(C(C)O)N=C1O
InChI: InChI=1S/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(67)52-30-24-36(65)46(70)56-48(72)43-32(61)19-20-57(43)50(74)42(35(64)25-38(51)66)55-47(71)41(34(63)22-28-17-18-37(33(62)21-28)78-79(75,76)77)54-45(69)31-23-29(60)26-58(31)49(73)40(27(2)59)53-44(30)68/h17-18,21,27,29-32,34-36,40-43,46,59-65,70H,3-16,19-20,22-26H2,1-2H3,(H2,51,66)(H,52,67)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)
InChIKey: CPKSKRPKSGGWCW-UHFFFAOYSA-N
Reference
FR220897 and FR220899, Novel Antifungal Lipopeptides from Coleophoma empetri No. 14573
PubChem CID: 9941657
LOTUS: LTS0100232
COCONUT: CNP0416041.1
{NPAtlas: NPA032684
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma empetri | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1145.2930000000003
TPSA？: 473.0900000000001
MolLogP？: 1.889070000000009
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|