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CHEBI:222196 - Saccharochelin D

ChEBI IDCHEBI:222196
ChEBI NameSaccharochelin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59N7O11
Net Charge0
Average Mass729.873
Monoisotopic Mass729.42726
SMILESCC(C)CCCCCCCCCC(=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/C33H59N7O11/c1-24(2)13-8-6-4-3-5-7-9-17-29(44)34-25(14-10-18-38(49)22-42)30(45)37-28(21-41)33(48)40(51)20-12-16-27-32(47)35-26(31(46)36-27)15-11-19-39(50)23-43/h22-28,41,49-51H,3-21H2,1-2H3,(H,34,44)(H,35,47)(H,36,46)(H,37,45)/t25-,26-,27-,28-/m0/s1
InChIKeyJFOVHZPBEYQQMH-LJWNLINESA-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 D (CHEBI:222196) 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]-11-methyldodecanamide