(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate (Q27159988)

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

9 October 2016

chemical formula

C₈₀H₁₅₅O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]

1 reference

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

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

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

JAUJGCAKQYMFNX-KOOJLLMASA-M

9 October 2016

InChIKey

2 references

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

C80 alpha-mycolate (l=17, m=10, n=19, p=23) (English)

9 October 2016

ChEBI ID

87972

mapping relation type

2 references

(2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate (English)