Structure Database (LMSD)

Common Name
Monohydroxylycopene
Systematic Name
psi,psi-Carotene-3-ol
Synonyms
LM ID
LMPR01070416
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
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
unclassified Flavobacterium (#196869)
Flavobacteriia (#117743)
Alternative pathways of zeaxanthin biosynthesis in a Flavobacterium species.,
Biochem J, 1974
Pubmed ID: 4462583

String Representations

InChiKey (Click to copy)
AIVAPTUQTJANQX-OTWPAFTASA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-32(2)18-13-21-36(7)24-16-27-37(8)25-14-22-34(5)19-11-12-20-35(6)23-15-26-38(9)28-17-29-39(10)31-40(41)30-33(3)4/h11-12,14-20,22-30,40-41H,13,21,31H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+
SMILES (Click to copy)
C(=C(/C)\CC(O)/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)/CC/C=C(\C)/C

Other Databases

PubChem CID
87133930
Carotenoid ID
CA01212

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 675.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.20
Molar Refractivity 187.47

Admin

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