Structure Database (LMSD)

OH
Common Name
4'-Hydroxy-gamma-carotene
Systematic Name
β,psi-Caroten-4'-ol
Synonyms
LM ID
LMPR01070516
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
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)
QWLUKDXGNYMCNT-IHMOVVQGSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-31(2)26-29-39(41)37(8)24-15-23-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-22-35(6)27-28-38-36(7)25-16-30-40(38,9)10/h11-15,17-24,26-28,39,41H,16,25,29-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,28-27+,32-17+,33-18+,34-21+,35-22+,37-24+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(O)C/C=C(\C)/C)=C(C)CC1

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/

Other Databases

PubChem CID
87443328
Carotenoid ID
CA00232

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 665.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.03
Molar Refractivity 185.38

Admin

Created at
17th Nov 2021
Updated at
25th Nov 2021