(Q76731160)

English

1-Dodecanoyl-2-tridecanoyl-3-heneicosanoyl-sn-glycerol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-stearoyl 2-acylglycerolipid

1 reference

based on heuristic

inferred from SMILES

mass

778.7050407279999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₉₄O₆

0 references

canonical SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC

0 references

Identifiers

InChI

InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-30-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m1/s1

0 references

InChIKey

XETVPTFREKKQGJ-YACUFSJGSA-N

0 references

PubChem CID

56936990

1 reference

matched by identifier from

InChIKey

XETVPTFREKKQGJ-YACUFSJGSA-N

1 reference

Human Metabolome Database ID

HMDB0066075

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XETVPTFREKKQGJ-YACUFSJGSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

2 references

https://www.swisslipids.org/#/downloads

retrieved

6 November 2021

matched by identifier from

InChIKey

XETVPTFREKKQGJ-YACUFSJGSA-N

(Q76731160)

1-Dodecanoyl-2-tridecanoyl-3-heneicosanoyl-sn-glycerol

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Identifiers

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