(2R)-2-[(1R)-1-hydroxy-12-{2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl}dodecyl]hexacosanoate (Q27160004)

CHEBI:87987 (English)

9 October 2016

chemical formula

C₇₈H₁₅₁O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87987 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87987 (English)

InChI=1S/C78H152O3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-38-44-50-56-62-68-76(78(80)81)77(79)69-63-57-51-45-39-43-49-55-61-67-75-71-74(75)66-60-54-48-42-37-34-33-36-41-47-53-59-65-73-70-72(73)64-58-52-46-40-35-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h72-77,79H,3-71H2,1-2H3,(H,80,81)/p-1/t72?,73?,74?,75?,76-,77-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:87987 (English)

UJPOZISPJYFURI-VKIFZDACSA-M

9 October 2016

InChIKey

2 references

CHEBI:87987 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:87987 (English)

matched by identifier from

9 October 2016

InChIKey

UJPOZISPJYFURI-VKIFZDACSA-M

ChEBI ID

87987

mapping relation type

2 references

(2R)-2-[(1R)-1-hydroxy-12-{2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl}dodecyl]hexacosanoate (English)