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CHEBI:220285 - Amychelin

ChEBI IDCHEBI:220285
ChEBI NameAmychelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N8O14
Net Charge0
Average Mass738.708
Monoisotopic Mass738.28205
SMILESO=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]1COC(c2ccccc2O)=N1)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C30H42N8O14/c39-11-19(25(45)31-17(6-3-9-37(50)15-42)24(44)32-18-7-4-10-38(51)30(18)49)33-26(46)20(12-40)34-27(47)21(13-41)35-28(48)22-14-52-29(36-22)16-5-1-2-8-23(16)43/h1-2,5,8,15,17-22,39-41,43,50-51H,3-4,6-7,9-14H2,(H,31,45)(H,32,44)(H,33,46)(H,34,47)(H,35,48)/t17-,18-,19+,20-,21+,22-/m1/s1
InChIKeyYMYRNIMWOZETPY-OVQJPPBNSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies AA4 (ncbitaxon:1896961) - PubMed (21699219)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amychelin (CHEBI:220285) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4R)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-5-[ormyl(hydroxy)amino]-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
Manual XrefsDatabases
28289083ChemSpider