Structure Database (LMSD)

Common Name
Peridinin
Systematic Name
Synonyms
LM ID
LMPR01070007
Formula
C39H50O7
Exact Mass
Calculate m/z
630.355655
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dinophyceae (#2864)
Structure of peridinin, the characteristics dinoflagellate carotenoid,
J Am Chem Soc, 1971

String Representations

InChiKey (Click to copy)
UYRDHEJRPVSJFM-VSWVFQEASA-N
InChi (Click to copy)
InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17?,30-,32-,37+,38+,39-/m0/s1
SMILES (Click to copy)
C1([C@@](O)(C)C[C@@H](OC(C)=O)CC1(C)C)=C=C/C(/C)=C/C=C/C=C/C=C(\C)/C=C1\OC(=O)C(C=C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C\1

Other Databases

Wikipedia
Peridinin
LIPIDBANK ID
VCA0005
PubChem CID
5289155

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 4
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 666.31
Topological Polar Surface Area 107.66
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 8.64
Molar Refractivity 181.78

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Created at
-
Updated at
2nd Oct 2021