(Q27158462)

CHEBI:85293 (English)

9 October 2016

chemical formula

C₅₅H₁₀₃NO₉P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

1 reference

CHEBI:85293 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

1 reference

CHEBI:85293 (English)

InChI=1S/C55H104NO9P/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-54(58)62-50-52(65-55(59)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2)51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-33-30-21-18-15-12-9-6-3/h24-27,52H,4-23,28-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b26-24-,27-25-/t52-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:85293 (English)

ODIMKKAAMGFUTD-FVKUMAIZSA-M

9 October 2016

InChIKey

2 references

CHEBI:85293 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2,3-Bis[(9Z)-9-octadecenoyloxy]propyl 2-(tetradecanoylamino)ethyl phosphate (English)

9 October 2016

2 references

CHEBI:85293 (English)

matched by identifier from

9 October 2016

InChIKey

ODIMKKAAMGFUTD-FVKUMAIZSA-M

ChEBI ID

85293

mapping relation type

2 references

N-myristoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C55H104NO9P/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-54(58)62-50-52(65-55(59)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2)51-64-66(60,61)63-49-48-56-53(57)45-42-39-36-33-30-21-18-15-12-9-6-3/h24-27,52H,4-23,28-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b26-24-,27-25-/t52-/m1/s1

1 reference

2 references

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