CHEBI:213718 - Micropeptin MZ771

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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 MZ771
ChEBI ID CHEBI:213718
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H61N9O8
Net Charge 0
Average Mass 771.961
Monoisotopic Mass 771.46431
InChI InChI=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
InChIKey JVWJZPMAMBSFIP-XNOZVUHISA-N
SMILES O=C1O[C@@H]([C@H](N)C(=O)N[C@H](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=CC=C3)C)=O)[C@H](CC)C)C2=O)OC)CCCN=C(N)N)C
Metabolite of Species Details
Microcystisspecies (NCBI:txid1127) See: PubMed
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 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 Xref Database
24681829 ChemSpider
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