Antibiotic FR 901379; 3E,4C-Didemethyl, 4A-deoxy
AlkaPlorer ID: AK288417
Synonym: Antibiotic FR 209603, FR 209603
IUPAC Name: [5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(hydroxymethyl)-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(O)C(OS(=O)(=O)O)=C2)N=C(O)C2CC(O)CN2C(=O)C(CO)N=C1O
InChI: InChI=1S/C49H78N8O20S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-39(66)51-29-23-36(64)45(69)55-47(71)42-33(61)18-19-56(42)49(73)41(35(63)24-38(50)65)54-46(70)40(34(62)20-27-16-17-32(60)37(21-27)77-78(74,75)76)53-44(68)31-22-28(59)25-57(31)48(72)30(26-58)52-43(29)67/h16-17,21,28-31,33-36,40-42,45,58-64,69H,2-15,18-20,22-26H2,1H3,(H2,50,65)(H,51,66)(H,52,67)(H,53,68)(H,54,70)(H,55,71)(H,74,75,76)
InChIKey: AHWAQZYBDSUNQC-UHFFFAOYSA-N
Reference
FR209602 and Related Compounds, Novel Antifungal Lipopeptides from Coleophoma crateriformis No. 738
PubChem CID: 11615051
LOTUS: LTS0141335
COCONUT: CNP0160525.2
{NPAtlas: NPA010090
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma crateriformis | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1131.2660000000003
TPSA？: 473.0900000000001
MolLogP？: 1.500570000000009
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|