Lactocillin

AlkaPlorer ID: AK303897

Synonym: None

IUPAC Name: None

Structure

SMILES: CC=C1NC(=O)C(C(C)O)NC(=O)C2=CSC(=N2)C2=CC=C(C3=NC(C4=NC(C(=O)NC(C)C(=O)O)=CS4)=CS3)N=C2C2=CSC(=N2)C(CSC(=O)C2=CNC3=CC=CC=C23)NC(=O)C2CSC(=N2)C(C(C)O)NC(=O)C2=CSC1=N2

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InChI: InChI=1S/C51H45N13O10S7/c1-5-26-45-59-33(16-77-45)42(70)64-37(22(4)66)49-61-31(17-80-49)40(68)56-34(19-81-51(74)25-12-52-27-9-7-6-8-23(25)27)47-57-29(13-76-47)38-24(44-58-32(14-75-44)41(69)63-36(21(3)65)43(71)55-26)10-11-28(54-38)46-62-35(18-79-46)48-60-30(15-78-48)39(67)53-20(2)50(72)73/h5-16,18,20-22,31,34,36-37,52,65-66H,17,19H2,1-4H3,(H,53,67)(H,55,71)(H,56,68)(H,63,69)(H,64,70)(H,72,73)

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InChIKey: WTPCCOAKKCTBIB-UHFFFAOYSA-N

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Reference

CAS: 1629150-63-5

Source

Species Genus Family Order Class Phylum Kingdom Domain
Lactobacillus gasseri Lactobacillus Lactobacillaceae Lactobacillales Bacilli Bacillota None Bacteria

Properties Information

Molecule Weight: 1224.471

TPSA: 345.81999999999994

MolLogP: 6.110300000000006

Number of H-Donors: 9

Number of H-Acceptors: 23

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information