EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202318 - Micropeptin 88-F

ChEBI IDCHEBI:202318
ChEBI NameMicropeptin 88-F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H78N8O15
Net Charge0
Average Mass1127.303
Monoisotopic Mass1126.55866
SMILESCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CC[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/C58H78N8O15/c1-9-14-45(69)59-42(29-36-17-21-38(67)22-18-36)51(72)61-41(57(78)80-8)25-27-46(70)63-49-34(6)81-58(79)48(33(5)10-2)64-53(74)44(31-35-15-12-11-13-16-35)65(7)56(77)50(32(3)4)66-47(71)28-26-40(55(66)76)60-52(73)43(62-54(49)75)30-37-19-23-39(68)24-20-37/h11-13,15-24,32-34,40-44,47-50,67-68,71H,9-10,14,25-31H2,1-8H3,(H,59,69)(H,60,73)(H,61,72)(H,62,75)(H,63,70)(H,64,74)/t33-,34+,40?,41?,42-,43-,44-,47+,48-,49-,50-/m0/s1
InChIKeyLLRIWFOSYFXMLM-RWXKQYELSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(98)00242-7)
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 88-F (CHEBI:202318) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
methyl 5-[[(2S,5S,8S,11R,12S,15S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-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
Manual XrefsDatabases
78436850ChemSpider