1-[(9E)-octadecenoyl]glycerol (Q27225105)

Monoelaidin (English)

12 October 2016

chemical formula

C₂₁H₄₀O₄

1 reference

Monoelaidin (English)

12 October 2016

canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O

1 reference

Monoelaidin (English)

12 October 2016

isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O

1 reference

Monoelaidin (English)

InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+

12 October 2016

Identifiers

InChI

1 reference

Monoelaidin (English)

12 October 2016

2 references

Monoelaidin (English)

12 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

2,3-Dihydroxypropyl elaidate (English)

12 October 2016

1 reference

2,3-Dihydroxypropyl (9E)-9-octadecenoate (English)

12 October 2016

2 references

Monoelaidin (English)

12 October 2016

Reaxys registry number

1728978

1 reference

1-[(9E)-octadecenoyl]glycerol (English)

12 October 2016

ChEBI ID

131342

mapping relation type

2 references

1-[(9E)-octadecenoyl]glycerol (English)

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+

SureChEMBL ID

SCHEMBL9754698

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references