Structure Database (LMSD)

Common Name
Monohydroxylycopene
Systematic Name
psi,psi-Carotene-3-ol
Synonyms
LM ID
LMPR01070416
Formula
C40H56O
Exact Mass
Calculate m/z
552.433116
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
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
Aromatic Rings
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