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Microginin 690

AlkaPlorer ID: AK112588

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulfinylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

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InChI: InChI=1S/C34H50N4O9S/c1-4-5-6-7-8-9-26(35)30(41)33(44)38(2)29(18-19-48(3)47)32(43)36-27(20-22-10-14-24(39)15-11-22)31(42)37-28(34(45)46)21-23-12-16-25(40)17-13-23/h10-17,26-30,39-41H,4-9,18-21,35H2,1-3H3,(H,36,43)(H,37,42)(H,45,46)/t26-,27-,28-,29-,30-,48?/m0/s1

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InChIKey: LCOSSHYAIKTVFM-VKRCEVIMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Cyanobacterium Geminocystaceae Chroococcales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 690.8600000000002

TPSA？: 219.58999999999995

MolLogP？: 1.5815000000000037

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens Endoplasmic reticulum aminopeptidase 1 AC50 8530.0 nM None
Homo sapiens GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 Potency 29092.9 nM None
Homo sapiens HepG2 Potency 11220.2 nM None
Homo sapiens Serine/threonine-protein phosphatase IC50 577.81 nM None
Homo sapiens Serine/threonine protein phosphatase PP1-alpha catalytic subunit IC50 227.35 nM None
Human immunodeficiency virus 1 Aberrant vpr protein Potency 31622.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Plasmodium falciparum FcB1/Columbia Zinc aminopeptidase IC50 16750.0 nM None
None Unchecked Potency 7079.5 nM None

Metabolism Information