Structure Database (LMSD)
Common Name
Syriacin
Systematic Name
N-(34S-methyl-5Z,9Z,12Z,15Z,18Z,21Z-hexatriacontahexaenoyl)-1-sulfo-β-D-fucosyl-(16R-methyl-sphing-4-enine)
Synonyms
3D model of Syriacin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WZUKTNXZDFHDIT-XZEQRQEDSA-N
InChi (Click to copy)
InChI=1S/C62H109NO10S/c1-6-53(3)48-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-27-29-35-39-43-47-51-58(65)63-56(52-71-74(69,70)73-62-61(68)60(67)59(66)55(5)72-62)57(64)50-46-42-38-34-31-30-33-37-41-45-49-54(4)7-2/h8,10-11,13-14,16-17,19,23,25,35,39,46,50,53-57,59-62,64,66-68H,6-7,9,12,15,18,20-22,24,26-34,36-38,40-45,47-49,51-52H2,1-5H3,(H,63,65)/b10-8-,13-11-,16-14-,19-17-,25-23-,39-35-,50-46+/t53-,54+,55+,56-,57+,59-,60-,61+,62-/m0/s1
SMILES (Click to copy)
C(N[C@](COS(=O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O1)([H])[C@]([H])(O)/C=C/CCCCCCCCCC[C@H](C)CC)(CCC/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC[C@@H](C)CC)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ephydatia syriaca
(#1191330)
Demospongiae
(#6042)
Syriacin, a novel unusual sulfated ceramide glycoside from the freshwater sponge Ephydatia syriaca (Porifera, Demospongiae, Spongillidae),
Tetrahedron, 2006
Tetrahedron, 2006
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
74
Rings
1
Aromatic Rings
0
Rotatable Bonds
48
Van der Waals Molecular Volume
1165.09
Topological Polar Surface Area
173.92
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
18.00
Molar Refractivity
311.77
Admin
Created at
-
Updated at
26th Jul 2021