Structure Database (LMSD)

Common Name
4,4'-Diapolycopene
Systematic Name
Synonyms
LM ID
LMPR01070143
Formula
C30H40
Exact Mass
Calculate m/z
400.313
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HGWBSMBLLOMJGT-DADBORHESA-N
InChi (Click to copy)
InChI=1S/C30H40/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-24H,1-8H3/b10-9+,19-11+,20-12+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
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

References

Other Databases

CHEBI ID
62449
LIPIDBANK ID
VCA1061
PubChem CID
16061259
Carotenoid ID
CA00001

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 498.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.48
Molar Refractivity 139.59

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Created at
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Updated at
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