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CHEBI:217226 - Valyl-respirantin

ChEBI IDCHEBI:217226
ChEBI NameValyl-respirantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H51N3O13
Net Charge0
Average Mass733.812
Monoisotopic Mass733.34219
SMILESCCC(C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C36H51N3O13/c1-11-19(6)28-31(44)38-24(15-17(2)3)29(42)36(9,10)35(48)52-27(18(4)5)34(47)49-20(7)25(33(46)50-21(8)32(45)51-28)39-30(43)22-13-12-14-23(26(22)41)37-16-40/h12-14,16-21,24-25,27-28,41H,11,15H2,1-10H3,(H,37,40)(H,38,44)(H,39,43)/t19?,20-,21+,24+,25+,27+,28+/m1/s1
InChIKeyNBVBHNUFSYRTEN-OQFKUZRZSA-N
Species of MetaboliteComponentSourceComments
Kitasatosporaspecies (ncbitaxon:1871188) - PubMed (17608530)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Valyl-respirantin (CHEBI:217226) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S,5S,8S,13S,16R,17S)-5-butan-2-yl-2,10,10,16-tetramethyl-8-(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-13-propan-2-yl-1,4,12,15-tetraoxa-7-azacyclooctadec-17-yl]-3-ormamido-2-hydroxybenzamide
Manual XrefsDatabases
23285254ChemSpider