Antibiotic FR 901379; 4A-Deoxy
AlkaPlorer ID: AK288415
Synonym: Antibiotic FR 901381, Antibiotic WF 11899B, FR 901381, WF 11899B
IUPAC Name: [5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-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)=NC1CC(O)C(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(C(C)O)N=C1O
InChI: InChI=1S/C51H82N8O20S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-39(67)53-31-23-36(65)47(71)57-49(73)43-44(68)27(2)25-59(43)51(75)42(35(64)24-38(52)66)56-48(72)41(34(63)20-29-18-19-33(62)37(21-29)79-80(76,77)78)55-46(70)32-22-30(61)26-58(32)50(74)40(28(3)60)54-45(31)69/h18-19,21,27-28,30-32,34-36,40-44,47,60-65,68,71H,4-17,20,22-26H2,1-3H3,(H2,52,66)(H,53,67)(H,54,69)(H,55,70)(H,56,72)(H,57,73)(H,76,77,78)
InChIKey: HPRZPZRQNZPGHW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma empetri | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1159.3200000000002
TPSA？: 473.0900000000001
MolLogP？: 2.135070000000009
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|