Structure Database (LMSD)

Common Name
Myxol glycoside/ (Myxoxanthophyll)
Systematic Name
Synonyms
LM ID
LMPR01070184
Formula
C46H66O8
Exact Mass
Calculate m/z
746.47577
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
VJHXSZGYVIKVEU-SKFWZKHZSA-N
InChi (Click to copy)
InChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,44?/m1/s1
SMILES (Click to copy)
C1(=C(C)C[C@@H](O)CC1(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](OC1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C(C)(C)O

Other Databases

CHEBI ID
187163
LIPIDBANK ID
VCA1102
PubChem CID
16061291

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 2
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 818.28
Topological Polar Surface Area 141.91
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 10.08
Molar Refractivity 224.87

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Created at
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Updated at
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