Structure Database (LMSD)

Common Name
Norbixin
Systematic Name
Synonyms
LM ID
LMPR01070209
Formula
C24H28O4
Exact Mass
Calculate m/z
380.19876
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]

String Representations

InChiKey (Click to copy)
ZVKOASAVGLETCT-UOGKPENDSA-N
InChi (Click to copy)
InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+
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(=O)O

Other Databases

Wikipedia
Norbixin
KEGG ID
C08608
CHEBI ID
7623
LIPIDBANK ID
VCA1127
PubChem CID
5281249
Cayman ID
40132

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 429.88
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.72
Molar Refractivity 116.00

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Created at
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Updated at
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