Molecule

Phaeofungin

AlkaPlorer ID: AK077128

Synonym: None

IUPAC Name: 2-[(3R,6R,9R,12S,15R,18R,21S)-3-[(1R)-1-hydroxyethyl]-6,9,21-tris(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-12,18-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-15-yl]acetic acid

Structure

SMILES: CCCCCCCCCCCCC(C)(O)C1CC(O)=N[C@@H](CO)C(O)=N[C@H](C)C(O)=N[C@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@H](CO)C(O)=N[C@H](CO)C(O)=N[C@H]([C@@H](C)O)C(=O)O1

InChI: InChI=1S/C40H69N7O16/c1-6-7-8-9-10-11-12-13-14-15-16-40(5,62)29-18-30(52)43-26(19-48)36(58)42-22(2)33(55)44-25(17-31(53)54)35(57)41-23(3)34(56)45-27(20-49)37(59)46-28(21-50)38(60)47-32(24(4)51)39(61)63-29/h22-29,32,48-51,62H,6-21H2,1-5H3,(H,41,57)(H,42,58)(H,43,52)(H,44,55)(H,45,56)(H,46,59)(H,47,60)(H,53,54)/t22-,23+,24-,25-,26+,27-,28-,29?,32-,40?/m1/s1

InChIKey: WKSAMKWFSYJCOB-YRHXLCEASA-N

Reference

Isolation, Structure, and Biological Activity of Phaeofungin, a Cyclic Lipodepsipeptide from a <i>Phaeosphaeria</i> sp. Using the Genome-Wide <i>Candida albicans</i> Fitness Test

PubChem CID: 71658899

LOTUS: LTS0261389

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NPAtlas: NPA006771

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phaeosphaeria sp.	Phaeosphaeria	Phaeosphaeriaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 904.0250000000002

TPSA？: 392.8800000000001

MolLogP？: 2.5118000000000094

Number of H-Donors: 13

Number of H-Acceptors: 15

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi