Myriocin; 12,13-Didehydro(E-)
AlkaPlorer ID: AK307205
Synonym: 2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6,12-eicosadienoic acid, 12,13-Didehydromyriocin
IUPAC Name: None
Structure
SMILES: CCCCCCC(=O)/C=C/CCCC/C=C/CC(O)C(O)C(N)(CO)C(=O)O
InChI: InChI=1S/C21H37NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,18-19,23,25-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+
InChIKey: AHRPEPPVBKPDJQ-JZAGDRGGSA-N
Reference
CAS: 1802556-09-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycosphaerella sp. UFMGCB 2032 | Mycosphaerella | Mycosphaerellaceae | Mycosphaerellales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 399.5280000000001
TPSA？: 141.07999999999998
MolLogP？: 2.0849999999999995
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|