Structure Database (LMSD)

Common Name
Bixin
Systematic Name
Synonyms
LM ID
LMPR01070210
Formula
C25H30O4
Exact Mass
Calculate m/z
394.21441
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bixa orellana (#66672)
Magnoliopsida (#3398)
Biosynthesis of the food and cosmetic plant pigment bixin (annatto).,
Science, 2003
Pubmed ID: 12829782

String Representations

InChiKey (Click to copy)
RAFGELQLHMBRHD-IFNPSABLSA-N
InChi (Click to copy)
InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15+
SMILES (Click to copy)
C(/C(O)=O)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(OC)=O

Other Databases

Wikipedia
Bixin
HMDB ID
HMDB0035074
CHEBI ID
175964
LIPIDBANK ID
VCA1128
PubChem CID
6376436

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 447.18
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.81
Molar Refractivity 120.38

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Updated at
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