Structure database (LMSD)

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LM IDLMPR03070025
Common NameDolichoic acid-[18-20]
Systematic Name-
Synonyms-
Exact Mass
374.3185 (neutral)    Calculate m/z:
FormulaC25H42O2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
PubChem CID24779570
InChIKeyODMPTSNPVHBMBA-ZTWRLTPTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H42O2/c1-20(2)11-7-12-21(3)13-8-14-22(4)15-9-16-23(5)17-10-18-24(6)1
9-25(26)27/h11,13,15,17,24H,7-10,12,14,16,18-19H2,1-6H3,(H,26,27)/b21-13+,22-15+
,23-17-/t24-/m0/s1
SMILESC([C@H](C)CC(O)=O)C{-}/C=C(\C{+n}C/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
445.44Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.02Molar
Refractivity
119.05