LIPID MAPS

Structure Database (LMSD)

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Common Name

Tangeraxanthin

Systematic Name

3-Hydroxy-4,5'-retro-5'-apo-β,psi-caroten-5'-one

Synonyms

LM ID

LMPR01070597

Formula

C₃₄H₄₄O₂

Exact Mass

Calculate m/z

484.33413

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

KQBKJSVYIBRYNQ-QASXPWMMSA-N

InChi (Click to copy)

InChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9+,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22+,33-23-

SMILES (Click to copy)

C1=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=C/C(C)=O)/C(C)(C)CC1O

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Citrus reticulata (#85571)

Magnoliopsida (#3398)

Reticulataxanthin and Tangeraxanthin, Two Carbonyl Carotenoids from Tangerine Peel,
J Food Sci, 1962

DOI: 10.1111/j.1365-2621.1962.tb00137.x

Other Databases

PubChem CID

171121214

Carotenoid ID

CA00291

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 1

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 570.30

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 9.09

Molar Refractivity 158.17

Admin

Created at

17th Nov 2021

Updated at

30th Nov 2021