Antibiotic FR 901379; 3E-Demethyl, 4A,4D-dideoxy
AlkaPlorer ID: AK288414
Synonym: Antibiotic FR 209604, FR 209604
IUPAC Name: [5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,21,25-trihydroxy-15-(hydroxymethyl)-26-methyl-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)=NC1CCC(O)N=C(O)C2C(O)C(C)CN2C(=O)C(C(O)CC(=N)O)N=C(O)C(C(O)CC2=CC=C(O)C(OS(=O)(=O)O)=C2)N=C(O)C2CC(O)CN2C(=O)C(CO)N=C1O
InChI: InChI=1S/C50H80N8O19S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(65)52-31-18-20-40(66)54-48(71)43-44(67)28(2)25-58(43)50(73)42(36(63)24-38(51)64)56-47(70)41(35(62)21-29-17-19-34(61)37(22-29)77-78(74,75)76)55-46(69)33-23-30(60)26-57(33)49(72)32(27-59)53-45(31)68/h17,19,22,28,30-33,35-36,40-44,59-63,66-67H,3-16,18,20-21,23-27H2,1-2H3,(H2,51,64)(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,70)(H,74,75,76)
InChIKey: FXXXVZDWMMLIOC-UHFFFAOYSA-N
Reference
FR209602 and Related Compounds, Novel Antifungal Lipopeptides from Coleophoma crateriformis No. 738
PubChem CID: 11607762
LOTUS: LTS0093326
COCONUT: CNP0278878.1
{NPAtlas: NPA006626
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma crateriformis | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1129.2940000000006
TPSA？: 452.8600000000001
MolLogP？: 2.775770000000009
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|