FR209602
AlkaPlorer ID: AK047908
Synonym: 'FR209602'
IUPAC Name: [5-[(2R)-2-[(3R,6S,9R,11S,15S,18S,20R,21S,24R,25R,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-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)=N[C@H]1C[C@@H](O)[C@H](O)N=C(O)[C@H]2[C@H](O)[C@@H](C)CN2C(=O)[C@@H]([C@H](O)CC(=N)O)N=C(O)[C@H]([C@H](O)CC2=CC=C(O)C(OS(=O)(=O)O)=C2)N=C(O)[C@H]2C[C@H](O)CN2C(=O)[C@H](CO)N=C1O
InChI: InChI=1S/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(66)52-30-22-36(64)46(70)56-48(72)42-43(67)27(2)24-58(42)50(74)41(35(63)23-38(51)65)55-47(71)40(34(62)19-28-17-18-33(61)37(20-28)78-79(75,76)77)54-45(69)32-21-29(60)25-57(32)49(73)31(26-59)53-44(30)68/h17-18,20,27,29-32,34-36,40-43,46,59-64,67,70H,3-16,19,21-26H2,1-2H3,(H2,51,65)(H,52,66)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)/t27-,29-,30-,31-,32+,34+,35+,36+,40-,41+,42+,43+,46-/m0/s1
InChIKey: JXFZOXKIGUVSTD-RHOPMGLRSA-N
Reference
FR209602 and Related Compounds, Novel Antifungal Lipopeptides from Coleophoma crateriformis No. 738
PubChem CID: 162967726
LOTUS: LTS0080734
SuperNatural Ⅲ: SN0177765-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coleophoma crateriformis | Coleophoma | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1145.2930000000003
TPSA？: 473.0900000000001
MolLogP？: 1.746570000000009
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|