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CHEBI:222666 - Pyoverdin Pf 3/8/1

ChEBI IDCHEBI:222666
ChEBI NamePyoverdin Pf 3/8/1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H76N15O19
Net Charge+1
Average Mass1191.244
Monoisotopic Mass1190.54364
SMILESNCCCCC(NC(=O)C(CO)NC(=O)C1CCNc2c(NC(=O)CCC(O)C(N)=O)cc3cc(O)c(O)cc3[n+]21)C(=O)NCC(=O)NC(CCCN(O)C=O)C(=O)NC1CCCCNC(=O)C(CO)NC(=O)C(CCCN(O)C=O)NC1=O
InChIInChI=1S/C50H75N15O19/c51-14-3-1-7-28(58-49(81)34(24-67)62-50(82)35-13-16-53-43-32(57-40(73)12-11-37(70)42(52)75)19-27-20-38(71)39(72)21-36(27)65(35)43)44(76)55-22-41(74)56-29(9-5-17-63(83)25-68)46(78)59-30-8-2-4-15-54-45(77)33(23-66)61-48(80)31(60-47(30)79)10-6-18-64(84)26-69/h19-21,25-26,28-31,33-35,37,66-67,70,83-84H,1-18,22-24,51H2,(H13,52,53,54,55,56,57,58,59,60,61,62,71,72,73,74,75,76,77,78,79,80,81,82)/p+1
InChIKeyQXQUCIIDKRUMJS-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - DOI (10.1016/s0040-4039(00)91719-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyoverdin Pf 3/8/1 (CHEBI:222666) is a peptide (CHEBI:16670)
IUPAC Name 
N'-[1-[[1-[[6-amino-1-[[2-[[5-[ormyl(hydroxy)amino]-1-[[6-[3-[ormyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-5-yl]-2-hydroxypentanediamide
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78443811ChemSpider