Antibiotic FR 901379; 4A,4D-Dideoxy
AlkaPlorer ID: AK288418
Synonym: Antibiotic FR 901382, Antibiotic WF 11899C, FR 901382, WF 11899C
IUPAC Name: [5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,21,25-trihydroxy-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)=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(C(C)O)N=C1O
InChI: InChI=1S/C51H82N8O19S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-39(66)53-32-19-21-40(67)54-49(72)44-45(68)28(2)26-59(44)51(74)43(36(64)25-38(52)65)57-48(71)42(35(63)22-30-18-20-34(62)37(23-30)78-79(75,76)77)56-47(70)33-24-31(61)27-58(33)50(73)41(29(3)60)55-46(32)69/h18,20,23,28-29,31-33,35-36,40-45,60-64,67-68H,4-17,19,21-22,24-27H2,1-3H3,(H2,52,65)(H,53,66)(H,54,72)(H,55,69)(H,56,70)(H,57,71)(H,75,76,77)
InChIKey: BQHILXLXXUQKOO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma empetri | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1143.3210000000004
TPSA？: 452.8600000000001
MolLogP？: 3.164270000000009
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|