Micropeptin MZ1019
AlkaPlorer ID: AK055890
Synonym: None
IUPAC Name: [(2R)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-1-oxo-3-sulfooxypropan-2-yl] hydrogen sulfate
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N=C(O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O
InChI: InChI=1S/C41H65N9O17S2/c1-8-22(3)31-40(57)66-24(5)32(48-36(53)29(67-69(61,62)63)21-65-68(58,59)60)37(54)45-26(16-13-19-44-41(42)43)34(51)46-27-17-18-30(64-7)50(38(27)55)33(23(4)9-2)39(56)49(6)28(35(52)47-31)20-25-14-11-10-12-15-25/h10-12,14-15,22-24,26-33H,8-9,13,16-21H2,1-7H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)(H4,42,43,44)(H,58,59,60)(H,61,62,63)/t22-,23-,24+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1
InChIKey: ANMNVFNXQIABAK-WLQPTDKLSA-N
Reference
Micropeptins from an Israeli Fishpond Water Bloom of the Cyanobacterium <i>Microcystis</i> sp.
PubChem CID: 45379737
LOTUS: LTS0153837
SuperNatural Ⅲ: SN0010316-02
NPASS: NPC15068
{NPAtlas: NPA009184
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1020.1510000000002
TPSA？: 395.61
MolLogP？: 1.6281700000000137
Number of H-Donors: 9
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Elastase 1 | Activity | nan | None | 10.1021/np900546u |
| Homo sapiens | Thrombin | Activity | nan | None | 10.1021/np900546u |
| Homo sapiens | Trypsin | Inhibition | nan | % | 10.1021/np4006844 |
| None | Unchecked | Activity | nan | None | 10.1021/np900546u |
| None | Unchecked | IC50 | 1600.0 | nM | 10.1021/np900546u |