Structure Database (LMSD)

Common Name
Muricin L
Systematic Name
Synonyms
LM ID
LMPK03000068
Formula
C35H64O8
Exact Mass
Calculate m/z
612.46012
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Annonaceae acetogenins [PK03]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Annona muricata (#13337)
Magnoliopsida (#3398)
Three new anti-proliferative Annonaceous acetogenins with mono-tetrahydrofuran ring from graviola fruit (Annona muricata).,
Bioorg Med Chem Lett, 2014
Pubmed ID: 24780120

String Representations

InChiKey (Click to copy)
AXEAARVPAHNXNN-KORKYYAHSA-N
InChi (Click to copy)
InChI=1S/C35H64O8/c1-3-4-5-6-12-15-18-29(37)30(38)20-21-32(40)34-23-22-33(43-34)31(39)19-16-13-10-8-7-9-11-14-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28-,29+,30-,31+,32-,33-,34-/m0/s1
SMILES (Click to copy)
C1=C(C[C@@H](O)CCCCCCCCCC[C@@H](O)[C@H]2O[C@@H](CC2)[C@@H](O)CC[C@H](O)[C@H](O)CCCCCCCC)C(=O)O[C@H]1C

Other Databases

PubChem CID
171120608

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 654.38
Topological Polar Surface Area 140.82
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 8.32
Molar Refractivity 173.68

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Created at
11th Jun 2020
Updated at
11th Jun 2020