(Q105324221)

English

3,9-bis[3-[hydroxy-[(1S)-1-hydroxyethyl]amino]propyl]-6-[3-[hydroxy-[(1R)-1-hydroxyethyl]amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

group of stereoisomers with the chemical formula C₂₇H₅₁N₉O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

693.3657180719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₅₁N₉O₁₂

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canonical SMILES

CC(O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(C)O)NC(=O)C(CCCN(O)C(C)O)NC1=O

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isomeric SMILES

C[C@H](O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)[C@H](C)O)NC(=O)C(CCCN(O)[C@@H](C)O)NC1=O

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found in taxon

Escherichia coli

2 references

stated in

Evidence for common binding sites for ferrichrome compounds and bacteriophage phi 80 in the cell envelope of Escherichia coli

stated in

Structure of the Ferrichrome Compounds1,2

Aspergillus fumigatus

1 reference

stated in

Identification of extracellular siderophores of pathogenic strains ofAspergillus fumigatus

Identifiers

InChI

InChI=1S/C27H51N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h16-21,37-39,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)/t16-,17-,18+,19?,20?,21?/m0/s1

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InChIKey

XAXWYTGRMHAKGS-XITSEDJASA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105324221)

3,9-bis[3-[hydroxy-[(1S)-1-hydroxyethyl]amino]propyl]-6-[3-[hydroxy-[(1R)-1-hydroxyethyl]amino]propyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Statements

Identifiers

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