(Q27459946)

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

Bz(2,3-diOH)-D-Ser-(1).Bz(2,3-diOH)-Ser(1)-OH

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀N₂O₁₁

1 reference

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

19 October 2016

canonical SMILES

C1=CC(=C(C(=C1)O)O)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)C2=C(C(=CC=C2)O)O

1 reference

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

19 October 2016

isomeric SMILES

C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)C2=C(C(=CC=C2)O)O

1 reference

Enterobactin: the characteristic catecholate siderophore of Enterobacteriaceae is produced by Streptomyces species.(1).

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

19 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12-/m0/s1

1 reference

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

KLXJDVFEFZPIMN-RYUDHWBXSA-N

19 October 2016

InChIKey

1 reference

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

19 October 2016

2 references

2s-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-Dihydroxyphenyl)carbonylamino]-3-Hydroxy-Propanoyl]oxy-Propanoic Acid (English)

matched by identifier from

19 October 2016

InChIKey

KLXJDVFEFZPIMN-RYUDHWBXSA-N

ChEBI ID

197975

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12-/m0/s1

1 reference

Natural Product Atlas ID

NPA000504

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KLXJDVFEFZPIMN-RYUDHWBXSA-N

0 references

0 references

1 reference

5ADW (English)

19 October 2016

1 reference

5ADV (English)