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CHEBI:222180 - Saccharochelin A

ChEBI IDCHEBI:222180
ChEBI NameSaccharochelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H57N7O11
Net Charge0
Average Mass715.846
Monoisotopic Mass715.41161
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC1=O
InChIInChI=1S/C32H57N7O11/c1-2-3-4-5-6-7-8-9-10-17-28(43)33-24(14-11-18-37(48)22-41)29(44)36-27(21-40)32(47)39(50)20-13-16-26-31(46)34-25(30(45)35-26)15-12-19-38(49)23-42/h22-27,40,48-50H,2-21H2,1H3,(H,33,43)(H,34,46)(H,35,45)(H,36,44)/t24-,25-,26-,27-/m0/s1
InChIKeyCIFNSBSFZQKJLD-FWEHEUNISA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (34323485)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Saccharochelin A (CHEBI:222180) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-[(2S)-5-[ormyl(hydroxy)amino]-1-[[(2S)-1-[3-[(2S,5S)-5-[3-[ormyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]dodecanamide