(2R)-2-[(1R)-14-{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl}-1-hydroxytetradecyl]hexacosanoate (Q27160007)

CHEBI:87991 (English)

9 October 2016

chemical formula

C₇₉H₁₅₃O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87991 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

CHEBI:87991 (English)

InChI=1S/C79H154O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-50-54-58-62-66-70-75-74-76(75)71-67-63-59-55-51-49-53-57-61-65-69-73-78(80)77(79(81)82)72-68-64-60-56-52-48-46-44-42-40-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,75-78,80H,3-33,36-74H2,1-2H3,(H,81,82)/p-1/b35-34-/t75?,76?,77-,78-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:87991 (English)

KDYIABBZMLDLHA-MYDHLENQSA-M

9 October 2016

InChIKey

2 references

CHEBI:87991 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:87991 (English)

matched by identifier from

9 October 2016

InChIKey

KDYIABBZMLDLHA-MYDHLENQSA-M

ChEBI ID

87991

mapping relation type

2 references

(2R)-2-[(1R)-14-{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl}-1-hydroxytetradecyl]hexacosanoate (English)