Structure Database (LMSD)

HO OH O OH
Common Name
Siphonaxanthin
Systematic Name
Synonyms
LM ID
LMPR01070158
Formula
C40H56O4
Exact Mass
Calculate m/z
600.41786
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SUCKEYMKNGZJHK-ZARIWKGHSA-N
InChi (Click to copy)
InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1
SMILES (Click to copy)
C1(CC(=O)/C(/CO)=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](O)CC1(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Codium fragile (#3133)
Ulvophyceae (#33103)
Identification of a new excited state responsible for the in vivo unique absorption band of siphonaxanthin in the green alga Codium fragile.,
J Phys Chem B, 2007
Pubmed ID: 17629321
Cladophorales (#3183)
Ulvophyceae (#33103)
CAROTENOID COMPOSITIONS OF CLADOPHORA BALLS (AEGAGROPILA LINNAEI) AND SOME MEMBERS OF THE CLADOPHORALES (ULVOPHYCEAE, CHLOROPHYTA): THEIR TAXONOMIC AND EVOLUTIONARY IMPLICATION,
J Phycol, 2004

Other Databases

LIPIDBANK ID
VCA1076
PubChem CID
11204185
PDB ID
0IE

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 681.96
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.64
Molar Refractivity 187.51

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Created at
-
Updated at
5th Jan 2022