EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219040 - Dehydroxy-qinichelin

ChEBI IDCHEBI:219040
ChEBI NameDehydroxy-qinichelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H49N9O13
Net Charge0
Average Mass755.783
Monoisotopic Mass755.34498
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)NCCC[C@H](N)C(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C31H49N9O13/c32-10-2-7-18(35-29(50)21(14-42)37-25(46)16-5-1-9-23(44)24(16)45)28(49)39-22(15-43)30(51)38-20(13-41)27(48)34-11-3-6-17(33)26(47)36-19-8-4-12-40(53)31(19)52/h1,5,9,17-22,41-45,53H,2-4,6-8,10-15,32-33H2,(H,34,48)(H,35,50)(H,36,47)(H,37,46)(H,38,51)(H,39,49)/t17-,18-,19-,20-,21+,22+/m0/s1
InChIKeyIUFHNQWMTXPTDJ-PCPGVINSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - 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)
Dehydroxy-qinichelin (CHEBI:219040) 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]amino]-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