(Q27129903)

mycolic acid (C46) (English)

6 October 2016

chemical formula

C₄₆H₉₂O₃

1 reference

mycolic acid (C46) (English)

6 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)O

1 reference

mycolic acid (C46) (English)

InChI=1S/C46H92O3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45(47)44(46(48)49)42-40-38-36-34-32-16-14-12-10-8-6-4-2/h44-45,47H,3-43H2,1-2H3,(H,48,49)

6 October 2016

Identifiers

InChI

1 reference

mycolic acid (C46) (English)

DKXQWQBYCTXRSN-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

mycolic acid (C46) (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Hydroxy-2-tetradecyldotriacontanoic acid (English)

6 October 2016

2 references

mycolic acid (C46) (English)

matched by identifier from

6 October 2016

InChIKey

DKXQWQBYCTXRSN-UHFFFAOYSA-N

ChEBI ID

60923

mapping relation type

2 references

R. ruber mycolic acid (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C46H92O3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45(47)44(46(48)49)42-40-38-36-34-32-16-14-12-10-8-6-4-2/h44-45,47H,3-43H2,1-2H3,(H,48,49)

1 reference

1 reference

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

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

418772