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CHEBI:219034 - Acetyl-qinichelin

ChEBI IDCHEBI:219034
ChEBI NameAcetyl-qinichelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H51N9O15
Net Charge0
Average Mass813.819
Monoisotopic Mass813.35046
SMILESCC(=O)N[C@@H](CCCN(O)C(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN)NC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1O)C(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C33H51N9O15/c1-17(46)35-19(28(50)37-21-9-5-13-41(56)32(21)54)8-4-12-42(57)33(55)24(16-45)40-31(53)23(15-44)39-29(51)20(7-3-11-34)36-30(52)22(14-43)38-27(49)18-6-2-10-25(47)26(18)48/h2,6,10,19-24,43-45,47-48,56-57H,3-5,7-9,11-16,34H2,1H3,(H,35,46)(H,36,52)(H,37,50)(H,38,49)(H,39,51)(H,40,53)/t19-,20-,21-,22+,23+,24-/m0/s1
InChIKeyMRKAXCKZNNHNNP-NOGMDXJMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies MBT77 (ncbitaxon:1488407) - PubMed (28945067)
Streptomycesspecies MBT78 (ncbitaxon:1488408) - 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)
Acetyl-qinichelin (CHEBI:219034) is a peptide (CHEBI:16670)
IUPAC Names 
N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(4S)-4-acetamido-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]-5-amino-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzamide
N-[(2R)-1-[[(2S)-5-acetamido-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