Molecule

[Val7]lichenysin G13

AlkaPlorer ID: AK025090

Synonym: 'Val7lichenysin G13'

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

Structure

SMILES: CC[C@H](C)CCCCCC[C@@H]1CC(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(C)C)C(=O)O1

InChI: InChI=1S/C50H88N8O12/c1-13-32(12)18-16-14-15-17-19-33-25-40(60)52-34(20-21-39(51)59)44(63)53-35(22-27(2)3)45(64)54-36(23-28(4)5)47(66)57-42(30(8)9)49(68)56-38(26-41(61)62)46(65)55-37(24-29(6)7)48(67)58-43(31(10)11)50(69)70-33/h27-38,42-43H,13-26H2,1-12H3,(H2,51,59)(H,52,60)(H,53,63)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,61,62)/t32-,33+,34-,35-,36+,37-,38-,42-,43-/m0/s1

InChIKey: RLVTUVFCUNTCND-HYBLBHDASA-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: 162984093

LOTUS: LTS0017483

SuperNatural Ⅲ: SN0328942-03

Source

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

Properties Information

Molecule Weight: 993.298

TPSA？: 335.81

MolLogP？: 10.204769999999996

Number of H-Donors: 10

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi