LIPID MAPS

Structure Database (LMSD)

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Common Name

beta-Cryptoxanthin palmitate

Systematic Name

(3R)-3-Hexadecanoyloxy-β,β-Carotene

Synonyms

LM ID

LMPR01070697

Formula

C₅₆H₈₆O₂

Exact Mass

Calculate m/z

790.66278

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YAOOAGLXXPOKMH-XHVVRQHHSA-N

InChi (Click to copy)

InChI=1S/C56H86O2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-37-54(57)58-51-43-50(7)53(56(10,11)44-51)41-39-48(5)35-28-33-46(3)31-26-25-30-45(2)32-27-34-47(4)38-40-52-49(6)36-29-42-55(52,8)9/h25-28,30-35,38-41,51H,12-24,29,36-37,42-44H2,1-11H3/b26-25+,32-27+,33-28+,40-38+,41-39+,45-30+,46-31+,47-34+,48-35+/t51-/m1/s1

SMILES (Click to copy)

C1C(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/C2=C(C)CCCC2(C)C)=C(C)C[C@H]1OC(CCCCCCCCCCCCCCC)=O

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Citrus reticulata (#85571)

Magnoliopsida (#3398)

Fruit Juice Carotenol Fatty Acid Esters and Carotenoids As Identified by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry,
J. Agric. Food Chem., 1996

DOI: 10.1021/jf960057y