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CHEBI:214642 - Micropeptin 1120

ChEBI IDCHEBI:214642
ChEBI NameMicropeptin 1120
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H81N11O14
Net Charge0
Average Mass1120.316
Monoisotopic Mass1119.59645
SMILESCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)C(=O)OC
InChIInChI=1S/C55H81N11O14/c1-9-15-41(68)59-39(28-34-19-21-35(67)22-20-34)48(72)62-38(53(77)79-8)23-25-42(69)63-45-32(6)80-54(78)44(31(5)10-2)64-49(73)40(29-33-16-12-11-13-17-33)65(7)52(76)46(30(3)4)66-43(70)26-24-37(51(66)75)61-47(71)36(60-50(45)74)18-14-27-58-55(56)57/h11-13,16-17,19-22,30-32,36-40,43-46,67,70H,9-10,14-15,18,23-29H2,1-8H3,(H,59,68)(H,60,74)(H,61,71)(H,62,72)(H,63,69)(H,64,73)(H4,56,57,58)/t31-,32-,36-,37-,38-,39-,40-,43+,44-,45-,46-/m0/s1
InChIKeyLTYYAEDKIVYNKM-IGCJTOBOSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (28040114)
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 1120 (CHEBI:214642) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
methyl (2S)-5-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoate