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CHEBI:216300 - JBIR-05

ChEBI IDCHEBI:216300
ChEBI NameJBIR-05
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42N2O11
Net Charge0
Average Mass642.702
Monoisotopic Mass642.27886
SMILESCC[C@H](C)[C@@H]1OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@H](C)OC1=O
InChIInChI=1S/C33H42N2O11/c1-7-17(2)26-31(41)43-18(3)24(35-28(38)21-14-11-15-22(34)25(21)36)30(40)44-19(4)29(39)45-23(16-20-12-9-8-10-13-20)27(37)33(5,6)32(42)46-26/h8-15,17-19,23-24,26-27,36-37H,7,16,34H2,1-6H3,(H,35,38)/t17-,18-,19-,23+,24-,26-,27-/m0/s1
InChIKeyQJVZZMMSEIMRQA-SUXMPZHRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (17965480)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JBIR-05 (CHEBI:216300) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-amino-N-[(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]-2-hydroxybenzamide
Manual XrefsDatabases
30825037ChemSpider