Structure Database (LMSD)

Common Name
(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Systematic Name
(2'S)-2'-(α-L-fucosyl)-3',4'-Didehydro-1',2'-dihydro-β,psi-carotene-1'-ol
Synonyms
LM ID
LMPR01070535
Formula
Exact Mass
Calculate m/z
714.48594
Status
Active

Classification

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Imported from Carotenoids DB http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)
LQRQZOJVMFJJLX-LJSSMQLHSA-N
InChi (Click to copy)
InChI=1S/C46H66O6/c1-32(18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-45(39,8)9)20-14-22-34(3)23-16-25-36(5)28-30-40(46(10,11)50)52-44-43(49)42(48)41(47)38(7)51-44/h12-16,18-25,27-30,38,40-44,47-50H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,40-,41+,42+,43-,44-/m0/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/C=C(\C)/C=C/[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O2)C(C)(O)C)=C(C)CC1

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 2
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 800.70
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.57
Molar Refractivity 221.07

Admin

Created at
17th Nov 2021
Updated at
26th Nov 2021