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CHEBI:213718 - Micropeptin MZ771

ChEBI IDCHEBI:213718
ChEBI NameMicropeptin MZ771
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H61N9O8
Net Charge0
Average Mass771.961
Monoisotopic Mass771.46431
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)OC1=O
InChIInChI=1S/C38H61N9O8/c1-8-21(3)30-37(53)55-23(5)29(39)34(50)43-25(16-13-19-42-38(40)41)32(48)44-26-17-18-28(54-7)47(35(26)51)31(22(4)9-2)36(52)46(6)27(33(49)45-30)20-24-14-11-10-12-15-24/h10-12,14-15,21-23,25-31H,8-9,13,16-20,39H2,1-7H3,(H,43,50)(H,44,48)(H,45,49)(H4,40,41,42)/t21-,22-,23+,25-,26-,27-,28+,29-,30-,31-/m0/s1
InChIKeyJVWJZPMAMBSFIP-XNOZVUHISA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (20028081)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Micropeptin MZ771 (CHEBI:213718) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[3-[(2S,5S,8S,11R,12S,15S,18S,21R)-12-amino-5-benzyl-2,8-bis[(2S)-butan-2-yl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-15-yl]propyl]guanidine
Manual XrefsDatabases
24681829ChemSpider