C80 D-glucose mono(keto-meromycolate) (Q27144552)

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

8 October 2016

chemical formula

C₈₇H₁₆₈O₉

1 reference

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

8 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O

1 reference

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

8 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O

1 reference

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

InChI=1S/C87H168O9/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-30-34-41-47-53-59-65-71-79(86(93)95-75-82-83(90)84(91)85(92)87(94)96-82)81(89)73-67-61-55-49-43-37-36-40-46-52-58-64-70-78-74-77(78)69-63-57-51-45-39-33-29-27-31-35-42-48-54-60-66-72-80(88)76(3)68-62-56-50-44-38-32-28-25-21-19-17-15-13-11-9-7-5-2/h76-79,81-85,87,89-92,94H,4-75H2,1-3H3/t76?,77?,78?,79?,81?,82-,83-,84+,85-,87?/m1/s1

8 October 2016

Identifiers

InChI

1 reference

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

GQOCANLLJRGUJC-RBHQRKGFSA-N

8 October 2016

InChIKey

2 references

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-O-(2-{1-Hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

8 October 2016

2 references

6-O-(2-{1-hydroxy-15-[2-(19-methyl-18-oxooctatriacontyl)cyclopropyl]pentadecyl}tetracosanoyl)-D-glucopyranose (English)

matched by identifier from

8 October 2016

InChIKey

GQOCANLLJRGUJC-RBHQRKGFSA-N

ChEBI ID

74255

mapping relation type

2 references

C80 D-glucose mono(keto-meromycolate) (English)