Structure Database (LMSD)

Common Name
1,2-Dihydroxyphytofluene
Systematic Name
1,2,7,8,11,12,7',8'-Octahydro-psi,psi-carotene-1,2-diol
Synonyms
LM ID
LMPR01070437
Formula
C40H64O2
Exact Mass
Calculate m/z
576.49063
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]

Biological Context

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Buckleyzyma aurantiaca (#91979)
Cystobasidiomycetes (#432005)
Imported from Carotenoids DB http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
LYGOWMNSQUUWMI-NOASVPEQSA-N
InChi (Click to copy)
InChI=1S/C40H64O2/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39(41)40(9,10)42/h11-12,14,18-20,22,24-26,29,39,41-42H,13,15-17,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+
SMILES (Click to copy)
C(=C(/C)\CCC(O)C(C)(C)O)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
87443987
Carotenoid ID
CA00141

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 694.38
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 12.35
Molar Refractivity 189.75

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021