Structure Database (LMSD)

Common Name
3,1'-(OH)2-gamma-Carotene
Systematic Name
Synonyms
LM ID
LMPR01070178
Formula
C40H58O2
Exact Mass
Calculate m/z
570.44368
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)
WDDWAHBJFHEOHV-PNZNGZNDSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-28-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-38-36(6)29-37(41)30-39(38,7)8/h11-15,17-24,26-27,37,41-42H,16,25,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-/m1/s1
SMILES (Click to copy)
C1(=C(C)C[C@@H](O)CC1(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)/CCCC(C)(C)O

Other Databases

CHEBI ID
132451
LIPIDBANK ID
VCA1096
PubChem CID
16061286
Carotenoid ID
CA00209

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 676.74
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.51
Molar Refractivity 187.38

Admin

Created at
-
Updated at
-