Structure Database (LMSD)

Common Name
1-Hydroxy-1,2,7',8',11',12'-hexahydrolycopene
Systematic Name
1,2,7',8',11',12'-Hexahydro-psi,psi-caroten-1-ol
Synonyms
LM ID
LMPR01070422
Formula
C40H62O
Exact Mass
Calculate m/z
558.480065
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

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum (#1085)
Alphaproteobacteria (#28211)
Imported from Carotenoids DB http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
PLJYVKKYUDKQLT-XFKJYHEFSA-N
InChi (Click to copy)
InChI=1S/C40H62O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,15,17,19-21,24-27,29-30,41H,13-14,16,18,22-23,28,31-32H2,1-10H3/b12-11+,24-15+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
87442938
Carotenoid ID
CA00130

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 682.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.87
Molar Refractivity 187.76

Admin

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