Iso-fumonisin B1
AlkaPlorer ID: AK071737
Synonym: 'Iso-fumonisin B1'
IUPAC Name: (2R)-2-[2-[(5R,6R,7S,9S,11R,17R,18R,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Structure
SMILES: CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCC[C@@H](O)[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI: InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,31+,32+/m0/s1
InChIKey: IYHQYIAATKLXJR-NNYRAOGSSA-N
Reference
Isolation of a New Fumonisin from<i>Fusarium moniliforme</i>Grown in Liquid Culture
PubChem CID: 162867716
LOTUS: LTS0097288
SuperNatural Ⅲ: SN0158592-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium fujikuroi | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 721.8380000000002
TPSA？: 288.51
MolLogP？: 2.564200000000004
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|