(2R)-2-[(1R)-1-hydroxy-14-{2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl}tetradecyl]hexacosanoate (Q27160006)

CHEBI:87989 (English)

9 October 2016

chemical formula

C₈₀H₁₅₅O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87989 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87989 (English)

InChI=1S/C80H156O3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-40-46-52-58-64-70-78(80(82)83)79(81)71-65-59-53-47-41-35-39-45-51-57-63-69-77-73-76(77)68-62-56-50-44-38-34-33-37-43-49-55-61-67-75-72-74(75)66-60-54-48-42-36-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h74-79,81H,3-73H2,1-2H3,(H,82,83)/p-1/t74?,75?,76?,77?,78-,79-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:87989 (English)

YNNVAJDZWYLBAO-KOOJLLMASA-M

9 October 2016

InChIKey

2 references

CHEBI:87989 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:87989 (English)

matched by identifier from

9 October 2016

InChIKey

YNNVAJDZWYLBAO-KOOJLLMASA-M

ChEBI ID

87989

mapping relation type

2 references

(2R)-2-[(1R)-1-hydroxy-14-{2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl}tetradecyl]hexacosanoate (English)