Mulundocandin
AlkaPlorer ID: AK025996
Synonym: None
IUPAC Name: (12S)-N-[(3R,6S,9S,11S,15R,18S,20S,21S,24R,25R,26R)-6-[(1R,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-12-methyltetradecanamide
Structure
SMILES: CC[C@H](C)CCCCCCCCCCC(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](CO)N=C(O)[C@H]([C@@H](O)[C@@H](O)C2=CC=C(O)C=C2)N=C(O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H]([C@H](C)O)N=C1O
InChI: InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69)/t25-,26+,27-,30-,31-,32+,33-,34-,36+,37-,38+,39+,40-,41+,44-/m0/s1
InChIKey: WUPSJTQKGFMDON-QCTZMLGRSA-N
Reference
Mulundocandin, a new lipopeptide antibiotic. II Structure elucidation.
PubChem CID: 139588993
LOTUS: LTS0025696
{NPAtlas: NPA020824
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sydowii | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1008.1770000000002
TPSA？: 385.64
MolLogP？: 1.6162000000000083
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|