Structure Database (LMSD)

Common Name
4,4'-Diapo-7,8,11,12-tetrahydrolycopene
Systematic Name
7,8,11,12-Tetrahydro-4,4'-diapo-psi,psi-carotene
Synonyms
LM ID
LMPR0106010045
Formula
C30H44
Exact Mass
Calculate m/z
404.3443
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
Staphylococcus aureus (#1280)
Bacilli (#91061)
Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids.,
J Bacteriol, 1981
Pubmed ID: 7275936

String Representations

InChiKey (Click to copy)
QSLXXAZXUYYJCO-IMFKHJNASA-N
InChi (Click to copy)
InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13,15-19,21,23-24H,12,14,20,22H2,1-8H3/b10-9+,19-11+,21-13+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/C)C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C

Other Databases

PubChem CID
101609271
Carotenoid ID
CA00005

Calculated Physicochemical Properties

Heavy Atoms 30
Rings
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 503.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 9.93
Molar Refractivity 139.78

Admin

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