(Q27162846)

CHEBI:90869 (English)

9 October 2016

chemical formula

C₂₀H₃₆NO₁₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(C(C(C(C1[NH2+]C2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO

1 reference

CHEBI:90869 (English)

9 October 2016

isomeric SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1[NH2+][C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO

1 reference

CHEBI:90869 (English)

InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/p+1/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:90869 (English)

JARYYMUOCXVXNK-CSLFJTBJSA-O

9 October 2016

InChIKey

2 references

CHEBI:90869 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:90869 (English)

matched by identifier from

9 October 2016

InChIKey

JARYYMUOCXVXNK-CSLFJTBJSA-O

ChEBI ID

90869

mapping relation type

2 references

validamycin A(1+) (English)