Structure Database (LMSD)

Common Name
Haterumaimide M
Systematic Name
Synonyms
LM ID
LMPR0104030033
Formula
C20H28NO4Cl
Exact Mass
Calculate m/z
381.170687
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Labdane and halimane diterpenoids [PR010403]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lissoclinum sp. (#3159528)
Ascidiacea (#7713)
Cytotoxic lissoclimide-type diterpenes from the molluscs Pleurobranchusalbiguttatus and Pleurobranchus forskalii.,
J Nat Prod, 2004
Pubmed ID: 15332867

String Representations

InChiKey (Click to copy)
DHBKZHLIAPOHDP-XWFOUZAQSA-N
InChi (Click to copy)
InChI=1S/C20H28ClNO4/c1-10-7-14(24)17-19(2,3)15(21)5-6-20(17,4)12(10)9-13(23)11-8-16(25)22-18(11)26/h11-13,15,17,23H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13+,15+,17+,20-/m1/s1
SMILES (Click to copy)
C1C[C@H](Cl)C(C)(C)[C@@]2(C(=O)CC(=C)[C@H](C[C@H](O)[C@]3([H])C(=O)NC(=O)C3)[C@@]12C)[H]

Other Databases

PubChem CID
21585559

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings
Rotatable Bonds 3
Van der Waals Molecular Volume 368.29
Topological Polar Surface Area 83.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.17
Molar Refractivity 99.41

Admin

Created at
17th Oct 2024
Updated at
17th Oct 2024