Structure Database (LMSD)

Common Name
Mannosyl-1beta-phosphomycoketide C34
Systematic Name
(4S,8S,12S,16S,20S-Pentamethylnonacosanyl)-β-D-mannosyl phosphate
Synonyms
  • MPM C34
LM ID
LMPK01000061
Status
Active
Exact Mass
Calculate m/z
736.561823
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LXDJRQFFCIMYRI-UUQWOKLMSA-N
InChi (Click to copy)
InChI=1S/C40H81O9P/c1-7-8-9-10-11-12-13-19-31(2)20-14-21-32(3)22-15-23-33(4)24-16-25-34(5)26-17-27-35(6)28-18-29-47-50(45,46)49-40-39(44)38(43)37(42)36(30-41)48-40/h31-44H,7-30H2,1-6H3,(H,45,46)/t31-,32-,33-,34-,35-,36+,37+,38-,39-,40-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)P(=O)(O)OCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 1
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 787.14
Topological Polar Surface Area 147.98
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 11.87
Molar Refractivity 207.10

Admin

Created at
-
Updated at
31st Aug 2021