Structure database (LMSD)

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LM IDLMPR0103050003
Common NameLatia luciferin
Systematic Name(1E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-1-enyl formate
Synonyms(9E)-7,8-dihydro-10-apo-β-caroten-10-yl formate; Latia luciferin;
latiluciferin
Exact Mass
236.1776 (neutral)    Calculate m/z:
FormulaC15H24O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cyclofarnesane sesquiterpenoids [PR010305]
PubChem CID5280505
KEGG IDC02293
CHEBI ID17269
InChIKeyMJURCEOLOMHLAX-ZRDIBKRKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+
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SMILES
O=CO/C=C(\C)/CCC1C(C)(C)CCCC=1C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
265.36Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.37Molar
Refractivity
70.47