Structure Database (LMSD)

Common Name
Saproxanthin
Systematic Name
3',4'-Didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol
Synonyms
LM ID
LMPR01070527
Formula
C40H56O2
Exact Mass
Calculate m/z
568.42803
Status
Curated
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
Saprospira grandis (#1008)
Saprospiria (#1937959)
The carotenoids of flexibacteria. 2. A new xanthophyll from Saprospira grandis.,
Acta Chem Scand, 1966
Pubmed ID: 5958829

String Representations

InChiKey (Click to copy)
FOUGFFVPRFFMLC-BOBWQXBNSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/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/h11-27,37,41-42H,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+
SMILES (Click to copy)
C1C(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/CC(C)(O)C)=C(C)CC1O

Other Databases

PubChem CID
20056890
Carotenoid ID
CA00205

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 674.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.29
Molar Refractivity 187.29

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Created at
17th Nov 2021
Updated at
25th Nov 2021