Molecule

Lichenysin G13

AlkaPlorer ID: AK025164

Synonym: None

IUPAC Name: 2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-3-[(2S)-butan-2-yl]-25-(7-methylnonyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid

Structure

SMILES: CCC(C)CCCCCCC1CC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)CC)C(=O)O1

InChI: InChI=1S/C51H90N8O12/c1-13-32(11)19-17-15-16-18-20-34-26-41(61)53-35(21-22-40(52)60)45(64)54-36(23-28(3)4)46(65)55-37(24-29(5)6)48(67)58-43(31(9)10)50(69)57-39(27-42(62)63)47(66)56-38(25-30(7)8)49(68)59-44(33(12)14-2)51(70)71-34/h28-39,43-44H,13-27H2,1-12H3,(H2,52,60)(H,53,61)(H,54,64)(H,55,65)(H,56,66)(H,57,69)(H,58,67)(H,59,68)(H,62,63)/t32?,33-,34?,35-,36-,37+,38+,39-,43-,44-/m0/s1

InChIKey: NEXHYHQPSGRWAI-VHMYURPYSA-N

Reference

Lichenysins G, a Novel Family of Lipopeptide Biosurfactants from Bacillus licheniformis IM 1307: Production, Isolation and Structural Evaluation by NMR and Mass Spectrometry.

PubChem CID: 139584029

LOTUS: LTS0092763

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NPAtlas: NPA003333

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bacillus licheniformis	Bacillus	Bacillaceae	Bacillales	Bacilli	Bacillota	None	Bacteria

Properties Information

Molecule Weight: 1007.3249999999998

TPSA？: 335.81

MolLogP？: 10.594869999999997

Number of H-Donors: 10

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi