Tris-catechol-vector

General

Type : Siderophore

Chemical_Nomenclature : N-[2-[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-oxo-3-(prop-2-ynylamino)propyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2,3-dihydroxybenzamide

Canonical SMILES : C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)C1=C(C(=CC=C1)O)O)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O

InChI : InChI=1S\/C32H32N6O12\/c1-2-12-33-31(49)20(38-30(48)18-8-5-11-23(41)27(18)45)14-35-32(50)19(37-29(47)17-7-4-10-22(40)26(17)44)13-34-24(42)15-36-28(46)16-6-3-9-21(39)25(16)43\/h1,3-11,19-20,39-41,43-45H,12-15H2,(H,33,49)(H,34,42)(H,35,50)(H,36,46)(H,37,47)(H,38,48)\/t19-,20-\/m0\/s1

InChIKey : XJMZSRWAQFOMTB-PMACEKPBSA-N

Other name(s) : Tris-catechol vector


MW : 692.63

Formula : C32H32N6O12

CAS_number :

PubChem : 132471828

UniChem : XJMZSRWAQFOMTB-PMACEKPBSA-N

Target

Structures : 6GI2, 6GI5

Families : A85-IroE-IroD-Fes-Yiel

References (2)

Title : A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa - Perraud_2018_ACS.Chem.Biol_13_2603
Author(s) : Perraud Q , Moynie L , Gasser V , Munier M , Godet J , Hoegy F , Mely Y , Mislin GLA , Naismith JH , Schalk IJ
Ref : ACS Chemical Biology , 13 :2603 , 2018
Abstract :
PubMedSearch : Perraud_2018_ACS.Chem.Biol_13_2603
PubMedID: 30086222
Gene_locus related to this paper: pseae-PA2689

Title : Catechol siderophores repress the pyochelin pathway and activate the enterobactin pathway in Pseudomonas aeruginosa: an opportunity for siderophore-antibiotic conjugates development - Gasser_2016_Environ.Microbiol_18_819
Author(s) : Gasser V , Baco E , Cunrath O , August PS , Perraud Q , Zill N , Schleberger C , Schmidt A , Paulen A , Bumann D , Mislin GL , Schalk IJ
Ref : Environ Microbiol , 18 :819 , 2016
Abstract :
PubMedSearch : Gasser_2016_Environ.Microbiol_18_819
PubMedID: 26718479