Structure Database (LMSD)

Common Name
7,8 (or 7',8')-Dihydrosarcinaxanthin
Systematic Name
2'-(4-Hydroxy-3-methylbut-2-enyl)-2-(3-methylbut-2-enyl)-7,8-dihydro-ε,ε-caroten-18-ol
Synonyms
LM ID
LMPR01080048
Formula
C50H74O2
Exact Mass
Calculate m/z
706.56888
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micrococcus luteus (#1270)
Actinomycetes (#1760)
Imported from Carotenoids DB http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
MSJWGAGMECPCRZ-KHWOCVRXSA-N
InChi (Click to copy)
InChI=1S/C50H74O2/c1-37(2)23-29-45-32-28-44(36-52)48(50(45,11)12)34-26-41(6)22-16-20-39(4)18-14-13-17-38(3)19-15-21-40(5)25-33-47-43(8)27-31-46(49(47,9)10)30-24-42(7)35-51/h13-25,27-28,33,45-48,51-52H,26,29-32,34-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,38-17+,39-18+,40-21+,41-22+,42-24+
SMILES (Click to copy)
C1(C/C=C(/C)\C)C(C)(C)C(CC/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)=CCC(C/C=C(\C)/CO)C2(C)C)C(CO)=CC1

Other Databases

PubChem CID
171119122
Carotenoid ID
CA00940

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 2
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 834.74
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 14.22
Molar Refractivity 230.99

Admin

Created at
17th Nov 2021
Updated at
8th Dec 2021