Structure Database (LMSD)

HO OH O OH HO
Common Name
6'-Hydroxysiphonaxanthin
Systematic Name
Synonyms
LM ID
LMPR01070204
Formula
C40H56O5
Exact Mass
Calculate m/z
616.412775
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)
YQJDYMVGIAROMZ-SLYFCCOISA-N
InChi (Click to copy)
InChI=1S/C40H56O5/c1-28(16-12-17-30(3)20-21-40(45)32(5)23-35(43)26-39(40,8)9)14-10-11-15-29(2)18-13-19-33(27-41)37(44)24-36-31(4)22-34(42)25-38(36,6)7/h10-21,23,34-35,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,40?/m1/s1
SMILES (Click to copy)
C1(CC(=O)/C(/CO)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2(O)C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@@H](O)CC1(C)C

References

Other Databases

CHEBI ID
166686
LIPIDBANK ID
VCA1122
PubChem CID
16061303
Carotenoid ID
CA00650

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 690.75
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 9.04
Molar Refractivity 189.48

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Created at
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Updated at
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