Structure Database (LMSD)

Common Name
(15Z)-beta-Carotene
Systematic Name
(15Z)-β,β-Carotene
Synonyms
LM ID
LMPR01070626
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
Status
Active
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
Thermostichus vulcanus (#32053)
Cyanophyceae (#3028117)
15-Cis-carotenoids found in the reaction center of a green sulfur bacterium Chlorobium tepidum and in the Photosystem I reaction center of a cyanobacterium Synechococcus vulcanus,
Photosynth Res, 1998

String Representations

InChiKey (Click to copy)
OENHQHLEOONYIE-BPYFYYBTSA-N
InChi (Click to copy)
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
C(/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C

Other Databases

PubChem CID
12305639
Carotenoid ID
CA00310

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 2
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 646.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 12.61
Molar Refractivity 181.39

Admin

Created at
17th Nov 2021
Updated at
1st Dec 2021