Molecule

Serobactin A

AlkaPlorer ID: AK088069

Synonym: None

IUPAC Name: 4-[[(2S)-1-[[1-carboxy-1-hydroxy-3-[[(2R,3S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(decanoylamino)-2-hydroxy-4-oxobutanoic acid

Structure

SMILES: CCCCCCCCCC(O)=NC(C(O)=N[C@@H](CO)C(O)=NC(C(O)=N[C@@H](C(O)=N[C@@H](CO)C(O)=N[C@H]1CCCN(O)C1=O)[C@H](C)O)C(O)C(=O)O)C(O)C(=O)O

InChI: InChI=1S/C33H55N7O17/c1-3-4-5-6-7-8-9-12-20(44)37-22(24(45)32(53)54)29(50)36-19(15-42)27(48)39-23(25(46)33(55)56)30(51)38-21(16(2)43)28(49)35-18(14-41)26(47)34-17-11-10-13-40(57)31(17)52/h16-19,21-25,41-43,45-46,57H,3-15H2,1-2H3,(H,34,47)(H,35,49)(H,36,50)(H,37,44)(H,38,51)(H,39,48)(H,53,54)(H,55,56)/t16-,17-,18-,19-,21+,22?,23?,24?,25?/m0/s1

InChIKey: UQVQVNBATHXZKG-ZRMVRKGCSA-N

Reference

Identification and structural characterization of serobactins, a suite of lipopeptide siderophores produced by the grass endophyte <i><scp>H</scp>erbaspirillum seropedicae</i>

PubChem CID: 139588804

LOTUS: LTS0184751

{

NPAtlas: NPA020363

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Herbaspirillum	Oxalobacteraceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 821.8350000000003

TPSA？: 411.8300000000001

MolLogP？: -0.6542999999999914

Number of H-Donors: 14

Number of H-Acceptors: 15

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi