Structure Database (LMSD)

OH O
Common Name
3',4'-Dihydrorhodovibrin
Systematic Name
Synonyms
LM ID
LMPR01070139
Formula
C41H62O2
Exact Mass
Calculate m/z
586.47498
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)
HZZSQEYTDMZTNV-LPPVHDQUSA-N
InChi (Click to copy)
InChI=1S/C41H62O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,20-29,42H,18-19,30-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
SMILES (Click to copy)
CC(C)(O)CCC/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)/CCCC(C)(OC)C

References

Other Databases

KEGG ID
C15887
CHEBI ID
80153
LIPIDBANK ID
VCA1057
PubChem CID
16061257
Carotenoid ID
CA00142

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 706.40
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.55
Molar Refractivity 194.35

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Created at
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Updated at
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