Molecule

Tumonic acid C

AlkaPlorer ID: AK008869

Synonym: None

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

InChI: InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22?,23-/m1/s1

InChIKey: JMMSUMNUHPWPOM-OTXNQVFESA-N

Reference

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

PubChem CID: 21775359

LOTUS: LTS0188215

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NPAtlas: NPA002096

Source

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

Properties Information

Molecule Weight: 511.6560000000004

TPSA？: 130.44

MolLogP？: 3.865300000000002

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi