1L2

(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate

Created: 2009-08-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count135
Chiral Atom Count6
Bond Count135
Aromatic Bond Count0
2D diagram of 1L2
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Chemical Component Summary

Name(2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms1-linoleoyl,2-oleoyl-3-O-(alpha-D-galactopyranosyl)-sn-glycerol
Systematic Name (OpenEye OEToolkits)[(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propyl] (9Z,12Z)-octadeca-9,12-dienoate
FormulaC45 H80 O10
Molecular Weight781.111
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCC\C=C/C\C=C/CCCCC
SMILESCACTVS3.352CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC=CCC=CCCCCC
SMILESOpenEye OEToolkits1.7.0CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC
Canonical SMILESCACTVS3.352 CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/C/C=C\CCCCC
Canonical SMILESOpenEye OEToolkits1.7.0 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI1.03 InChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39,42-46,49-51H,3-10,12,14-16,21-37H2,1-2H3/b13-11-,19-17-,20-18-/t38-,39-,42+,43+,44-,45+/m1/s1
InChIKeyInChI1.03 WSLQQXBIZJMBGG-JQWDYJJRSA-N

Related Resource References

Resource NameReference
PubChem 44593850