Structure Database (LMSD)

Common Name
1,1'-(OH)2-3,4-Didehydrolycopene
Systematic Name
Synonyms
LM ID
LMPR01070180
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)
NJDYXCXZPKNDPR-ABMRICDRSA-N
InChi (Click to copy)
InChI=1S/C40H58O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-17,19-29,41-42H,18,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
CC(C)(O)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)/CCCC(C)(O)C

Other Databases

CHEBI ID
132450
LIPIDBANK ID
VCA1098
PubChem CID
16061287
Carotenoid ID
CA00084

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 686.46
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.68
Molar Refractivity 189.47

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Created at
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Updated at
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