Structure Database (LMSD)

HO OH
Common Name
Sarcinaxanthin
Systematic Name
(2R,6R,2'R,6'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-γ,γ-carotene
Synonyms
LM ID
LMPR01080052
Formula
Exact Mass
Calculate m/z
704.55323
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
XFXHBQLETDDGGF-XUYZKQIISA-N
InChi (Click to copy)
InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
SMILES (Click to copy)
[C@@H]1(C/C=C(\C)/CO)C(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(=C)CC[C@H](C/C=C(\C)/CO)C2(C)C)C(=C)CC1

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micrococcus luteus (#1270)
Actinomycetia (#1760)
Bacterial carotenoids. LIII. C50-carotenoids. 19. Absolute configuration of sarcinaxanthin and sarcinaxanthin mono-beta-d-glucoside. Isolation of sarcinaxanthin diglycoside,
Acta Chem Scand B ., 1977
Pubmed ID: 855546

Other Databases

PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 2
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 832.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 14.00
Molar Refractivity 230.90

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