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Loloatin A

AlkaPlorer ID: AK006142

Synonym: None

IUPAC Name: 2-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-24,27-dibenzyl-3,15-bis[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]acetic acid

Structure

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O

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InChI: InChI=1S/C65H84N12O15/c1-36(2)29-45-57(84)75-51(33-41-21-25-43(79)26-22-41)65(92)77-28-12-18-52(77)63(90)74-47(31-39-15-9-6-10-16-39)59(86)70-46(30-38-13-7-5-8-14-38)58(85)72-49(34-53(67)80)60(87)73-50(35-54(81)82)61(88)71-48(32-40-19-23-42(78)24-20-40)62(89)76-55(37(3)4)64(91)68-44(17-11-27-66)56(83)69-45/h5-10,13-16,19-26,36-37,44-52,55,78-79H,11-12,17-18,27-35,66H2,1-4H3,(H2,67,80)(H,68,91)(H,69,83)(H,70,86)(H,71,88)(H,72,85)(H,73,87)(H,74,90)(H,75,84)(H,76,89)(H,81,82)/t44-,45-,46+,47-,48-,49-,50-,51+,52-,55-/m0/s1

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InChIKey: OSZSVIMATNAOIP-AGWJQUSNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
bacterium None None None None None None Bacteria

Properties Information

Molecule Weight: 1273.456

TPSA？: 429.0799999999999

MolLogP？: -0.4727000000000154

Number of H-Donors: 14

Number of H-Acceptors: 15

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Burkholderia cepacia Burkholderia cepacia MIC 32.0 ug.mL-1 10.1021/np980219f
Candida albicans Candida albicans MIC 8.0 ug.mL-1 10.1021/np980219f
Enterococcus faecalis Enterococcus faecalis MIC 4.0 ug.mL-1 10.1021/np980219f
Enterococcus faecium Enterococcus faecium MIC 4.0 ug.mL-1 10.1021/np980219f
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1021/np980219f
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 32.0 ug.mL-1 10.1021/np980219f
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/np980219f
Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC 32.0 ug.mL-1 10.1021/np980219f
Streptococcus pneumoniae Streptococcus pneumoniae MIC 1.0 ug.mL-1 10.1021/np980219f
Streptococcus pneumoniae Streptococcus pneumoniae MIC 2.0 ug.mL-1 10.1021/np980219f

Metabolism Information