Nodularin

Nodularin

The 2d structure of the Nodularin-R peptide.
Names
Other names Cyclo[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-γ-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-β-aspartyl-L-arginyl]
Identifiers
CAS Number	118399-22-7 Y
ChEBI	CHEBI:80043 N
ChEMBL	ChEMBL108308 N
ChemSpider	10471625 N
Jmol 3D model	Interactive image
KEGG	C15713 Y
InChI InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1 N Key: IXBQSRWSVIBXNC-HSKGSTCASA-N N
SMILES C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCNC(=N)N)C)C(=O)O
Properties
Chemical formula	C41H60N8O10
Molar mass	824.98 g·mol−1
Vapor pressure	{{{value}}}
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Nodularin-R is a cyclic nonribosomal peptide produced by the cyanobacterium Nodularia spumigena. This cyanobacterium forms blooms in brackish water bodies throughout the world. The late summer blooms of Nodularia spumigena are among the largest cyanobacterial mass occurrences in the world. Nodularin-R is a cyclic pentapeptide and contains several unusual non-proteinogenic amino acids such as N-methyl-didehydroaminobutyric acid and the β-amino acid ADDA. Nodularin-R is a potent hepatotoxin and may cause serious damage to the liver of humans and other animals.

See also

• Microcystins
• Nonribosomal peptides
• Cyclic peptides