(Q27133795)

achromobactin free acid (English)

7 October 2016

chemical formula

C₂₂H₂₉N₃O₁₆

1 reference

achromobactin free acid (English)

7 October 2016

canonical SMILES

C1CC(N(C1=O)CCOC(=O)CC(CC(=O)NCCC(C(=O)O)N2C(=O)CCC2(C(=O)O)O)(C(=O)O)O)(C(=O)O)O

1 reference

achromobactin free acid (English)

7 October 2016

isomeric SMILES

C1CC(N(C1=O)CCOC(=O)C[C@](CC(=O)NCCC(C(=O)O)N2C(=O)CCC2(C(=O)O)O)(C(=O)O)O)(C(=O)O)O

1 reference

achromobactin free acid (English)

InChI=1S/C22H29N3O16/c26-12(23-6-3-11(16(30)31)25-14(28)2-5-22(25,40)19(36)37)9-20(38,17(32)33)10-15(29)41-8-7-24-13(27)1-4-21(24,39)18(34)35/h11,38-40H,1-10H2,(H,23,26)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t11?,20-,21?,22?/m1/s1

7 October 2016

Identifiers

InChI

1 reference

achromobactin free acid (English)

JIVPNYWQBCSFIL-MAVSXWESSA-N

7 October 2016

InChIKey

2 references

achromobactin free acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

achromobactin free acid (English)

7 October 2016

1 reference

achromobactin free acid (English)

7 October 2016

ChEBI ID

65352

mapping relation type

1 reference