Molecule

Cyanochelin A

AlkaPlorer ID: AK328360

Synonym: None

IUPAC Name: 4-[[2-[(1-carboxy-1,3-dihydroxypropan-2-yl)amino]-2-oxoethyl]amino]-2-hydroxy-3-[[2-[[2-[[2-(2-hydroxy-6-undecylphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid

Structure

SMILES: CCCCCCCCCCCC1=CC=CC(O)=C1C1=NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CO)C(O)C(=O)O)C(O)C(=O)O)CO1

InChI: InChI=1S/C35H52N6O14/c1-2-3-4-5-6-7-8-9-10-12-20-13-11-14-23(43)27(20)33-40-22(19-55-33)31(49)37-15-24(44)36-16-26(46)41-28(30(48)35(53)54)32(50)38-17-25(45)39-21(18-42)29(47)34(51)52/h11,13-14,21-22,28-30,42-43,47-48H,2-10,12,15-19H2,1H3,(H,36,44)(H,37,49)(H,38,50)(H,39,45)(H,41,46)(H,51,52)(H,53,54)

InChIKey: JJPKARAEIBOESM-UHFFFAOYSA-N

Reference

Cyanochelins, an Overlooked Class of Widely Distributed Cyanobacterial Siderophores, Discovered by Silent Gene Cluster Awakening

PubChem CID: 169492443

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NPAtlas: NPA033309

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rivularia sp. PCC 7116	Rivularia	Rivulariaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 780.8290000000004

TPSA？: 322.61

MolLogP？: -2.187599999999989

Number of H-Donors: 11

Number of H-Acceptors: 13

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi