LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(10:0/15:0/18:3(6Z,9Z,12Z))

Systematic Name

1-decanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

LM ID

LMGL03019AOY

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

730.611140

Formula

C₄₆H₈₂O₆

Predict MS/MS spectrum ([M+NH4]+)

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MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

PPPIHIGFHWANCE-PVNUWWPXSA-N

InChi (Click to copy)

InChI=1S/C46H82O6/c1-4-7-10-13-16-18-20-22-23-24-26-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-28-25-21-19-17-14-11-8-5-2/h16,18,22-23,26-27,43H,4-15,17,19-21,24-25,28-42H2,1-3H3/b18-16-,23-22-,27-26-/t43-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O