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Chemical structure of Nodularin

GC44436

Nodularin

Also known as (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid

The cyanobacterium Nodularia spumigena often contaminates the drinking water of rural communities in developing countries and accumulates in mussels, flounder, and cod from the northern Baltic Sea

ChemicalCAS118399-22-7MW825FormulaC41H60N8O10
CAS number
118399-22-7
Molecular weight
825
Formula
C41H60N8O10
Solubility
DMSO： 10 mg/ml,Ethanol： 10 mg/ml,Methanol：Water (1：1)： 1 mg/ml
InChIKey
IXBQSRWSVIBXNC-HSKGSTCASA-N
Catalogue number
GC44436
Brand
GLPBIO
Computed properties PubChem CID 14217092 · XLogP 1.7 · TPSA 285 Ų · H-bond donors 8
XLogP
1.7
TPSA
285 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
59

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)CCCN=C(N)N)C)C(=O)O

Computed descriptors from PubChem (CID 14217092), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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