Structure Database (LMSD)

Common Name
Antheraxanthin
Systematic Name
(3S,5R,6S,3'R)-5,6-Epoxy-5,6-dihydro-β,β-carotene-3,3'-diol
Synonyms
LM ID
LMPR01070262
Formula
C40H56O3
Exact Mass
Calculate m/z
584.422945
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
OFNSUWBAQRCHAV-OYQUVCAXSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
SMILES (Click to copy)
[C@]12(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C[C@]1(O2)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fucus serratus (#87148)
Phaeophyceae (#2870)
Algal carotenoids 54. Carotenoids of brown algae (Phaeophyceae),
Biochem System Ecol, 1994
Erythranthe lewisii (#69919)
Magnoliopsida (#3398)
Carotenoid composition of the flowers of Mimulus lewisii and related species: Implications regarding the prevalence and origin of two unique, allenic pigments.,
Arch Biochem Biophys, 2015
Pubmed ID: 25778629

Other Databases

KEGG ID
C08579
CHEBI ID
27867
PubChem CID
5281223
Carotenoid ID
CA00407
PDB ID
QDL

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 3
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 663.45
Topological Polar Surface Area 52.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 10.90
Molar Refractivity 185.74

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Created at
-
Updated at
1st Nov 2023