Structure Database (LMSD)

Common Name
gamma,psi-carotene
Systematic Name
γ,psi-Carotene
Synonyms
LM ID
LMPR01070610
Formula
C40H56
Exact Mass
Calculate m/z
536.4382
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
Coccinella septempunctata (#41139)
Insecta (#50557)
Pigmentation of the ladybird beetle Coccinella septempunctata by carotenoids not of plant origin.,
Nature, 1977
Pubmed ID: 840295
Caloscypha fulgens (#47187)
Pezizomycetes (#147549)
Absolute configuration of β,γ-carotene and biosynthetic implications,
Phytochemistry, 1977

String Representations

InChiKey (Click to copy)
BXGTZBNZDLKFGE-MZWXFFAQSA-N
InChi (Click to copy)
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30,39H,8,13,17,21,28,31H2,1-7,9-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m1/s1
SMILES (Click to copy)
C1C(C)(C)[C@H](/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)C(=C)CC1

Other Databases

PubChem CID
101600151
Carotenoid ID
CA00677

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 656.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.63
Molar Refractivity 183.41

Admin

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