Molecule

Cupriachelin

AlkaPlorer ID: AK293342

Synonym: None

IUPAC Name: 2-[[2-[[2-[[4-amino-2-[[3-carboxy-2-(decanoylamino)-3-hydroxypropanoyl]amino]butanoyl]amino]-3-carboxy-3-hydroxypropanoyl]amino]acetyl]amino]-5-[hydroxy(3-hydroxybutanoyl)amino]pentanoic acid

Structure

SMILES: CCCCCCCCCC(O)=NC(C(O)=NC(CCN)C(O)=NC(C(O)=NCC(O)=NC(CCCN(O)C(=O)CC(C)O)C(=O)O)C(O)C(=O)O)C(O)C(=O)O

InChI: InChI=1S/C33H57N7O16/c1-3-4-5-6-7-8-9-12-21(42)38-25(27(46)33(54)55)30(49)37-19(13-14-34)28(47)39-24(26(45)32(52)53)29(48)35-17-22(43)36-20(31(50)51)11-10-15-40(56)23(44)16-18(2)41/h18-20,24-27,41,45-46,56H,3-17,34H2,1-2H3,(H,35,48)(H,36,43)(H,37,49)(H,38,42)(H,39,47)(H,50,51)(H,52,53)(H,54,55)

InChIKey: NKYSSGMAMSGPMC-UHFFFAOYSA-N

Reference

Structure and Biosynthetic Assembly of Cupriachelin, a Photoreactive Siderophore from the Bioplastic Producer Cupriavidus necator H16

PubChem CID: 162994964

LOTUS: LTS0207626

COCONUT: CNP0268297.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cupriavidus necator	Cupriavidus	Burkholderiaceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 807.8520000000007

TPSA？: 402.1

MolLogP？: 0.4773000000000089

Number of H-Donors: 13

Number of H-Acceptors: 14

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi