Structure Database (LMSD)

Common Name
7,8-Dihydro-beta-carotene
Systematic Name
Synonyms
LM ID
LMPR01070091
Formula
C40H58
Exact Mass
Calculate m/z
538.45385
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
ZWHNFQQCBBBUHX-RQJQFHIYSA-N
InChi (Click to copy)
InChI=1S/C40H58/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25,27H,15-16,23-24,26,28-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
CC1(C(=C(C)CCC1)CC/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)/C)C

Other Databases

KEGG ID
C16291
CHEBI ID
80427
LIPIDBANK ID
VCA1009
PubChem CID
16061228
Carotenoid ID
CA00313

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 649.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.83
Molar Refractivity 181.49

Admin

Created at
-
Updated at
-