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Micropeptin 478-A

AlkaPlorer ID: AK026233

Synonym: '', 'Micropeptin 478-A'

IUPAC Name: [(2R)-3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-bis[(2S)-butan-2-yl]-5-[(3-chloro-4-hydroxyphenyl)methyl]-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-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]-2-hydroxy-3-oxopropyl] hydrogen sulfate

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C(Cl)=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N=C(O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O

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InChI: InChI=1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1

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InChIKey: XQAUOXBHKXOGBQ-HWXQPLKUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Microcystis aeruginosa Microcystis Microcystaceae Chroococcales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 976.504

TPSA？: 383.47

MolLogP？: 1.505970000000011

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information