Structure Database (LMSD)

Common Name
Hydroxy-3,4-dehydro-apo-8'-lycopene
Systematic Name
1-Hydroxy-3,4-didehydro-1,2-dihydro-8'-apo-psi-carotene
Synonyms
LM ID
LMPR0106010046
Formula
C30H42O
Exact Mass
Calculate m/z
418.323565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Halobacillus halophilus (#1570)
Bacilli (#91061)
5-Hydroxy-5,6-dihydro-apo-4,4'-lycopene and methyl 5-hydroxy-5,6-dihydro-apo-4,4'-lycopenoate, novel C(30)-carotenoids produced by a mutant of marine bacterium Halobacillus halophilus [corrected].,
J Antibiot (Tokyo), 2010
Pubmed ID: 20414323

String Representations

InChiKey (Click to copy)
FOIFOTKOVLXQJE-GOWUZQRBSA-N
InChi (Click to copy)
InChI=1S/C30H42O/c1-25(2)15-11-18-26(3)16-9-10-17-27(4)19-12-20-28(5)21-13-22-29(6)23-14-24-30(7,8)31/h9-23,31H,24H2,1-8H3/b10-9+,18-11+,19-12+,21-13+,23-14+,26-16+,27-17+,28-20+,29-22+
SMILES (Click to copy)
C(/C=C(\C)/C=C/CC(C)(C)O)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C

Other Databases

PubChem CID
46846122
Carotenoid ID
CA01009

Calculated Physicochemical Properties

Heavy Atoms 31
Rings
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 509.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.97
Molar Refractivity 141.59

Admin

Created at
17th Nov 2021
Updated at
18th Nov 2021