EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215587 - Oscillapeptilide 97-A

ChEBI IDCHEBI:215587
ChEBI NameOscillapeptilide 97-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H75N9O13
Net Charge0
Average Mass1046.233
Monoisotopic Mass1045.54843
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)OC1=O
InChIInChI=1S/C53H75N9O13/c1-9-30(4)44-53(73)75-31(5)45(59-46(66)36(21-23-42(54)64)55-48(68)39-16-13-25-61(39)32(6)63)50(70)57-38(26-29(2)3)47(67)56-37-22-24-43(65)62(51(37)71)41(28-33-14-11-10-12-15-33)52(72)60(7)40(49(69)58-44)27-34-17-19-35(74-8)20-18-34/h10-12,14-15,17-20,29-31,36-41,43-45,65H,9,13,16,21-28H2,1-8H3,(H2,54,64)(H,55,68)(H,56,67)(H,57,70)(H,58,69)(H,59,66)/t30-,31+,36-,37-,38-,39-,40-,41-,43+,44-,45-/m0/s1
InChIKeyFQTOZJUPMXZERB-HYOFZHFKSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - DOI (10.1016/s0040-4020(99)01017-0)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oscillapeptilide 97-A (CHEBI:215587) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]pentanediamide
Manual XrefsDatabases
78441533ChemSpider