alpha,alpha'-trehalose 6-mycolate (Q27102929)

alpha,alpha'-Trehalose 6-mycolate (English)

5 October 2016

chemical formula

C₄₄H₈₂O₁₃

1 reference

alpha,alpha'-Trehalose 6-mycolate (English)

5 October 2016

canonical SMILES

CCCCCCCCCCCCCCC(C(CCCCCCCC=CCCCCCC)O)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

1 reference

alpha,alpha'-Trehalose 6-mycolate (English)

5 October 2016

isomeric SMILES

CCCCCCCCCCCCCCC(C(CCCCCCC/C=C/CCCCCC)O)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O

1 reference

alpha,alpha'-Trehalose 6-mycolate (English)

InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,43-,44-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

alpha,alpha'-Trehalose 6-mycolate (English)

DIYJLQPZULMTGY-HNBCZZSGSA-N

5 October 2016

InChIKey

2 references

alpha,alpha'-Trehalose 6-mycolate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

alpha-D-Glucopyranosyl 6-O-[(11E)-3-hydroxy-2-tetradecyl-11-octadecenoyl]-alpha-D-glucopyranoside (English)

5 October 2016

2 references

alpha,alpha'-Trehalose 6-mycolate (English)

matched by identifier from

5 October 2016

InChIKey

DIYJLQPZULMTGY-HNBCZZSGSA-N

ChEBI ID

18234

mapping relation type

3 references

alpha,alpha'-trehalose 6-mycolate (English)