Structure Database (LMSD)

Common Name
Micromonal
Systematic Name
Synonyms
LM ID
LMPR01070202
Formula
C40H56O3
Exact Mass
Calculate m/z
584.422945
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micromonas pusilla (#38833)
Mamiellophyceae (#1035538)
Ten minor carotenoids from prasinophyceae (chlorophyta),
Phytochemistry, 1995

String Representations

InChiKey (Click to copy)
FJWGLEVADWWUFR-NJTXIUSISA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-20,22,25,28,35-36,38,42-43H,21,23-24,26-27H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,29-14+,30-15+,31-17+,34-19-/t35-,36+,38+/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=O)/CC[C@H]1C(C)=C[C@H](O)CC1(C)C

Other Databases

LIPIDBANK ID
VCA1120
PubChem CID
16061301
Carotenoid ID
CA00625

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 673.17
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 10.38
Molar Refractivity 185.61

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Updated at
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