Metachelin C
AlkaPlorer ID: AK328383
Synonym: None
IUPAC Name: (2S)-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]-1-[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-3-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enoxy]-N,N-dimethyl-1-oxopentan-2-amine oxide
Structure
SMILES: C/C(=C\C(=O)N(O)CCC[C@@H](C(=O)OCC/C(C)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC1=O)[N+](C)(C)[O-])CCO
InChI: InChI=1S/C41H68N6O18/c1-25(12-18-48)21-32(50)46(61)17-8-11-30(47(4,5)62)40(58)63-19-13-26(2)22-33(51)44(59)15-6-9-28-38(56)43-29(39(57)42-28)10-7-16-45(60)34(52)23-27(3)14-20-64-41-37(55)36(54)35(53)31(24-49)65-41/h21-23,28-31,35-37,41,48-49,53-55,59-61H,6-20,24H2,1-5H3,(H,42,57)(H,43,56)/b25-21+,26-22+,27-23+/t28-,29-,30-,31+,35+,36-,37-,41+/m0/s1
InChIKey: UOZOEXPRDMLEDC-UJOOGMRGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium robertsii | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 933.0190000000002
TPSA？: 348.79
MolLogP？: -1.7323999999999928
Number of H-Donors: 10
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|