Molecule

Tumonic acid B

AlkaPlorer ID: AK008796

Synonym: None

IUPAC Name: (2S)-2-[(2R,3S)-2-[(2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxypropanoic acid

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)O)[C@@H](C)CC

InChI: InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)/b19-15+/t18-,20+,21-,22-,23?,24+/m0/s1

InChIKey: HYPDCGGBAFGHKA-WRZMLGOZSA-N

Reference

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

PubChem CID: 21775355

LOTUS: LTS0144341

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NPAtlas: NPA013113

Source

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

Properties Information

Molecule Weight: 525.6830000000003

TPSA？: 130.44

MolLogP？: 4.2554000000000025

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi