Molecule

methyl tumonoate B

AlkaPlorer ID: AK008921

Synonym: None

IUPAC Name: [(2R,3S)-1-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-3-methyl-1-oxopentan-2-yl] (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carboxylate

Structure

SMILES: CCCCCCC/C=C(\C)C(O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)OC)[C@@H](C)CC

InChI: InChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24?,25+/m0/s1

InChIKey: RYWKXTITOBZASH-CKTSFAFJSA-N

Reference

Tumonoic Acids, Novel Metabolites from a Cyanobacterial Assemblage of <i>Lyngbya majuscula</i> and <i>Schizothrix calcicola</i>

PubChem CID: 21775357

LOTUS: LTS0047529

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NPAtlas: NPA016939

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Schizothrix calcicola	Schizothrix	Schizotrichaceae	Pseudanabaenales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 539.7100000000003

TPSA？: 119.44

MolLogP？: 4.343800000000003

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi