Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR01070260
Common Nameγ-Carotene (W)
Systematic Name-
Synonyms-
Exact Mass
536.4382 (neutral)    Calculate m/z:
FormulaC40H56
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA1007
PubChem CID5280791
KEGG IDC05435
HMDB IDHMDB0112262
CHEBI ID27740
InChIKeyHRQKOYFGHJYEFS-BXOLYSJBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34
(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-3
0H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-
24+,36-25+,37-27+
SMILESC1(=C(C)CCCC1(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C
C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
656.52Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP12.77Molar
Refractivity
183.48