(Q27131986)

RHAMNOLIPID R-1 (English)

7 October 2016

chemical formula

C₃₂H₅₇O₁₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCC(CC(=O)[O-])OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O

1 reference

RHAMNOLIPID R-1 (English)

7 October 2016

isomeric SMILES

CCCCCCCC(CC(=O)[O-])OC(=O)CC(CCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O

1 reference

RHAMNOLIPID R-1 (English)

InChI=1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34)/p-1/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

RHAMNOLIPID R-1 (English)

FCBUKWWQSZQDDI-SESCQDRSSA-M

7 October 2016

InChIKey

2 references

RHAMNOLIPID R-1 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(3-{[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy}decanoyl)oxy]decanoate (English)

7 October 2016

1 reference

RHAMNOLIPID R-1 (English)

7 October 2016

ChEBI ID

62522

mapping relation type

1 reference