Structure Database (LMSD)

Common Name
(13'Z,3R,3'R,6'R)-Lutein
Systematic Name
(3R,3'R,6'R,13'Z)-β,ε-Carotene-3,3'-diol
Synonyms
  • Neolutein A'
LM ID
LMPR01070909
Formula
C41H58O2
Exact Mass
Calculate m/z
582.44368
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]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Elaeis (#51952)
Magnoliopsida (#3398)
Palm-oil carotenoids; examination of sese palm oils.,
Biochem J, 1946
Pubmed ID: 20273630

String Representations

InChiKey (Click to copy)
OJEVEZHRGJPFHO-FNNJUVEOSA-N
InChi (Click to copy)
InChI=1S/C41H58O2/c1-30(18-13-20-32(3)22-15-23-38-34(5)26-36(42)28-40(38,7)8)16-11-12-17-31(2)19-14-21-33(4)24-25-39-35(6)27-37(43)29-41(39,9)10/h11-15,17-26,36-38,42-43H,16,27-29H2,1-10H3/b12-11+,19-14+,20-13+,23-15+,25-24+,30-18-,31-17+,32-22+,33-21+/t36-,37+,38-/m0/s1
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/C1=C(C)C[C@@H](O)CC1(C)C)\[C@H]1C(C)=C[C@H](O)CC1(C)C

Other Databases

PubChem CID
163057371
Carotenoid ID
CA00602

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 681.68
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.37
Molar Refractivity 189.74

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Created at
17th Nov 2021
Updated at
22nd Dec 2021