(Q27132023)

CHEBI:62588 (English)

7 October 2016

chemical formula

C₈₇H₁₇₀O₄

1 reference

CHEBI:62588 (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)O

1 reference

CHEBI:62588 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1[C@H](C)CCCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)O

1 reference

CHEBI:62588 (English)

InChI=1S/C87H170O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-33-40-46-52-58-64-70-76-83(87(90)91)86(89)78-72-66-60-54-48-42-36-35-39-45-51-57-63-69-75-82-79-84(82)80(3)73-67-61-55-49-43-37-32-29-30-34-41-47-53-59-65-71-77-85(88)81(4)74-68-62-56-50-44-38-31-22-20-18-16-14-12-10-8-6-2/h80-84,86,89H,5-79H2,1-4H3,(H,90,91)/t80-,81?,82-,83-,84-,86-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:62588 (English)

DVNAMZNTINAEPO-YYDWZTKSSA-N

7 October 2016

InChIKey

2 references

CHEBI:62588 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-[(1R)-1-Hydroxy-17-{(1R,2R)-2-[(2R)-22-methyl-21-oxo-2-tetracontanyl]cyclopropyl}heptadecyl]hexacosanoic acid (English)

7 October 2016

1 reference

CHEBI:62588 (English)

7 October 2016

ChEBI ID

62588

mapping relation type

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R)-22-methyl-21-oxotetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid (English)

7 October 2016

1 reference

1 reference

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

150777