Structure database (LMSD)

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LM IDLMPK01000061
Common NameMannosyl-1β-phosphomycoketide C34
Systematic Name(4S,8S,12S,16S,20S-Pentamethylnonacosanyl)-β-D-mannosyl phosphate
SynonymsMPM C34
Exact Mass
736.5618 (neutral)    Calculate m/z:
FormulaC40H81O9P
CategoryPolyketides [PK]
Main ClassLinear polyketides [PK01]
Sub Class-
PubChem CID52929805
InChIKeyLXDJRQFFCIMYRI-HNHUPUNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H81O9P/c1-7-8-9-10-11-12-13-19-31(2)20-14-21-32(3)22-15-23-33(4)24-1
6-25-34(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/s
1
SMILESO([C@H]1C(O)[C@H]([C@H](O)C(CO)O1)O)P(=O)(O)OCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C
)CCC[C@@H](C)CCC[C@@H](C)CCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings1Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
787.14Topological Polar
Surface Area
147.98Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
9
 logP11.87Molar
Refractivity
207.10