Molecule

Oscillaginin A

AlkaPlorer ID: AK017702

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid

Structure

SMILES: CC(C)[C@@H](C(O)=N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O)N(C)C(=O)[C@H](CO)N=C(O)[C@@H](O)[C@H](N)CCCCCCCCl

InChI: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1

InChIKey: QYOGCHNVZHLFTR-RYWAYVEBSA-N

Reference

A 3-amino-10-chloro-2-hydroxydecanoic acid-containing tetrapeptide from Oscillatoria agardhii

PubChem CID: 46902107

LOTUS: LTS0153679

SuperNatural Ⅲ: SN0318651-01

NPASS: NPC209463

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NPAtlas: NPA000648

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Elsholtzia bodinieri	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ambrosia cordifolia	Ambrosia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Romalea microptera	Romalea	Romaleidae	Orthoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Desmanthus illinoensis	Desmanthus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sistotrema raduloides	Sistotrema	Corticiaceae	Corticiales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Narcissus serotinus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pterocarpus angolensis	Pterocarpus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton hieronymi	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea purpurea	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Oscillatoria	Oscillatoriaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Monomorium fieldi	Monomorium	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 615.168

TPSA？: 209.5

MolLogP？: 2.802500000000002

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Endoplasmic reticulum aminopeptidase 1	AC50	682.0	nM	None
Homo sapiens	Endoplasmic reticulum aminopeptidase 2	AC50	1470.0	nM	None
None	Unchecked	AC50	44.9	nM	None