Structure Database (LMSD)

HO OH
Common Name
alpha-Micropteroxanthin A
Systematic Name
(3S,6S)-11',12'-Dihydro-10'-apo-ε,psi-caroten-3,10'-diol
Synonyms
LM ID
LMPR01070608
Formula
C27H40O2
Exact Mass
Calculate m/z
396.30283
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
UKYBIQCVRBJWBE-XCGRFGPVSA-N
InChi (Click to copy)
InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,19,25-26,28-29H,10,15,18,20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+/t25-,26-/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)/CCCO)C(C)=C[C@H]1O

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micropterus salmoides (#27706)
Actinopteri (#186623)
"A series of new apocarotenoids from the black bass".,
NIPPON SUISAN GAKKAISHI, 1992

Other Databases

PubChem CID
163024996
Carotenoid ID
CA00872

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 462.40
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.19
Molar Refractivity 127.66

Admin

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