BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Nonactin

Graphical representations:

nonactin image

Molecular Formula: C40 H64 O12

Natural Isotopic Abundance Mass: 736.92896

Mono-Isotopic Molecular Masses:

  • C12N14: 736.4397775196
  • C13N14: 776.5739710316
  • C12N15: 736.4397775196
  • C13N15: 776.5739710316

InCHi String:

canonical SMILES: CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C

isomeric SMILES: C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C

PubChem Substance (SID):   111677889   214784   85371449
PubChem Compound (CID):   72519
KEGG: Compound ID   C11186
CAS Registry IDs:   6833-84-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 6833-84-7   MMCD cq_07842   Sigma-Aldrich 74155_SIGMA   ChEBI CHEBI:172334   ChemIDplus 006833847   EINECS 229-911-3   Beilstein Handbook Reference 5-19-12-00751   DTP/NCI 56409

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.