Structure Database (LMSD)

Common Name
Latia 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-beta-caroten-10-yl formate
  • Latia luciferin
  • latiluciferin
LM ID
LMPR0103050003
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cyclofarnesane sesquiterpenoids [PR010305]

String Representations

InChiKey (Click to copy)
MJURCEOLOMHLAX-ZRDIBKRKSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
O=CO/C=C(\C)/CCC1C(C)(C)CCCC=1C

Other Databases

KEGG ID
C02293
CHEBI ID
17269
PubChem CID
5280505

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 265.36
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.37
Molar Refractivity 70.47

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Updated at
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