Structure Database (LMSD)

Common Name
19-Methoxy siphonaxanthin
Systematic Name
(3R,3'R,6'R)-3,3'-Dihydroxy-19-methoxy-7,8-dihydro-β,ε-caroten-8-one
Synonyms
LM ID
LMPR01070947
Formula
C41H58O4
Exact Mass
Calculate m/z
614.433511
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
Nephroselmis (#31311)
Nephroselmidophyceae (#1242998)
Variation of siphonaxanthin series among the genus Nephroselmis (Prasinophyceae, Chlorophyta), including a novel primary methoxy carotenoid,
J Phycol, 2005

String Representations

InChiKey (Click to copy)
XUHAFJJARJOCDZ-NOJRHLLDSA-N
InChi (Click to copy)
InChI=1S/C41H58O4/c1-29(17-13-18-31(3)21-22-37-32(4)23-35(42)26-40(37,6)7)15-11-12-16-30(2)19-14-20-34(28-45-10)39(44)25-38-33(5)24-36(43)27-41(38,8)9/h11-23,35-37,42-43H,24-28H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,29-15+,30-16+,31-18+,34-20+/t35-,36+,37-/m0/s1
SMILES (Click to copy)
C1C(C)(C)C(CC(=O)/C(/COC)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@H]1O

Other Databases

PubChem CID
163057399
Carotenoid ID
CA00653

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 2
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 699.26
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 10.29
Molar Refractivity 192.30

Admin

Created at
17th Nov 2021
Updated at
5th Jan 2022