Molecule

Serobactin B

AlkaPlorer ID: AK088079

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-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid

Structure

SMILES: CCCCCCCCCCCC(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/C35H59N7O17/c1-3-4-5-6-7-8-9-10-11-14-22(46)39-24(26(47)34(55)56)31(52)38-21(17-44)29(50)41-25(27(48)35(57)58)32(53)40-23(18(2)45)30(51)37-20(16-43)28(49)36-19-13-12-15-42(59)33(19)54/h18-21,23-27,43-45,47-48,59H,3-17H2,1-2H3,(H,36,49)(H,37,51)(H,38,52)(H,39,46)(H,40,53)(H,41,50)(H,55,56)(H,57,58)/t18-,19-,20-,21-,23+,24?,25?,26?,27?/m0/s1

InChIKey: LQPRYCPJOYXBHP-ZPDUTISPSA-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: 139588805

LOTUS: LTS0271252

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NPAtlas: NPA020364

Source

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

Properties Information

Molecule Weight: 849.8890000000002

TPSA？: 411.8300000000001

MolLogP？: 0.1259000000000077

Number of H-Donors: 14

Number of H-Acceptors: 15

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi