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CHEBI:219028 - Qinichelin

ChEBI IDCHEBI:219028
ChEBI NameQinichelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49N9O14
Net Charge0
Average Mass771.782
Monoisotopic Mass771.33990
SMILESNCCC[C@H](NC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N(O)CCC[C@H](N)C(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C31H49N9O14/c32-10-2-7-18(34-28(49)20(13-41)36-25(46)16-5-1-9-23(44)24(16)45)27(48)37-21(14-42)29(50)38-22(15-43)31(52)40(54)11-3-6-17(33)26(47)35-19-8-4-12-39(53)30(19)51/h1,5,9,17-22,41-45,53-54H,2-4,6-8,10-15,32-33H2,(H,34,49)(H,35,47)(H,36,46)(H,37,48)(H,38,50)/t17-,18-,19-,20+,21+,22-/m0/s1
InChIKeySSYRELOFMYAWQU-PZENNZQWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces roseifaciens (ncbitaxon:1488406) - PubMed (28945067)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Qinichelin (CHEBI:219028) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2R)-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(4S)-4-amino-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-5-oxopentyl]-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzamide