CHEBI:212673 - Micropeptin T20

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Micropeptin T20
ChEBI ID CHEBI:212673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H58N6O12
Net Charge 0
Average Mass 887.000
Monoisotopic Mass 886.41127
InChI InChI=1S/C46H58N6O12/c1-5-26(2)38-46(63)64-27(3)39(50-42(59)36(55)25-53)43(60)48-33(22-28-12-8-6-9-13-28)40(57)47-32-20-21-37(56)52(44(32)61)35(24-29-14-10-7-11-15-29)45(62)51(4)34(41(58)49-38)23-30-16-18-31(54)19-17-30/h6-19,26-27,32-39,53-56H,5,20-25H2,1-4H3,(H,47,57)(H,48,60)(H,49,58)(H,50,59)/t26-,27-,32-,33?,34-,35-,36-,37+,38+,39-/m0/s1
InChIKey RSZLUPQFTSUYKP-TYJGFLGVSA-N
SMILES O=C1O[C@H]([C@H](NC(=O)[C@@H](O)CO)C(=O)NC(C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@@H]1[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CC5=CC=CC=C5)C
Metabolite of Species Details
Microcystis aeruginosa (NCBI:txid1126) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Micropeptin T20 (CHEBI:212673) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-N-[(2S,5S,8R,11S,12S,18S,21R)-2,15-dibenzyl-8-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2,3-dihydroxypropanamide