CHEBI:204119 - Micropeptin LH920

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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 LH920
ChEBI ID CHEBI:204119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H64N8O12
Net Charge 0
Average Mass 921.062
Monoisotopic Mass 920.46437
InChI InChI=1S/C46H64N8O12/c1-6-7-9-14-36(57)48-25-37(58)51-40-27(4)66-46(65)39(26(2)3)52-42(61)33(23-29-15-17-30(55)18-16-29)53(5)45(64)34(24-28-12-10-8-11-13-28)54-38(59)22-20-32(44(54)63)50-41(60)31(49-43(40)62)19-21-35(47)56/h8,10-13,15-18,26-27,31-34,38-40,55,59H,6-7,9,14,19-25H2,1-5H3,(H2,47,56)(H,48,57)(H,49,62)(H,50,60)(H,51,58)(H,52,61)/t27-,31+,32+,33+,34+,38-,39+,40+/m1/s1
InChIKey FYGDKMFIZJPROV-XLZNFROESA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CNC(=O)CCCCC)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCC(=O)N)C
Metabolite of Species Details
Microcystisspecies (NCBI:txid1127) 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 )
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ChEBI Ontology
Outgoing Micropeptin LH920 (CHEBI:204119) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[2-[[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-oxoethyl]hexanamide
Manual Xref Database
30829982 ChemSpider
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