(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid (Q27162301)

CHEBI:90084 (English)

9 October 2016

chemical formula

C₈₁H₁₅₈O₃

1 reference

CHEBI:90084 (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCC)O)C(=O)O

1 reference

CHEBI:90084 (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCC)O)C(=O)O

1 reference

CHEBI:90084 (English)

InChI=1S/C81H158O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-29-33-37-41-45-53-59-65-71-79(81(83)84)80(82)72-66-60-54-46-42-38-34-30-26-28-32-36-40-44-50-56-62-68-76-74-78(76)70-64-58-52-48-47-51-57-63-69-77-73-75(77)67-61-55-49-43-39-35-31-27-20-18-16-14-12-10-8-6-4-2/h75-80,82H,3-74H2,1-2H3,(H,83,84)/t75?,76?,77?,78?,79-,80-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:90084 (English)

DBEVGXIYWUUDPS-IXLNILOOSA-N

9 October 2016

InChIKey

2 references

CHEBI:90084 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:90084 (English)

matched by identifier from

9 October 2016

InChIKey

DBEVGXIYWUUDPS-IXLNILOOSA-N

ChEBI ID

90084

mapping relation type

2 references

(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid (English)