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CHEBI:213610 - Pyoverdin Pf 1/1/1

ChEBI IDCHEBI:213610
ChEBI NamePyoverdin Pf 1/1/1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H73N14O20
Net Charge+1
Average Mass1190.212
Monoisotopic Mass1189.51201
SMILESNCCCCC(NC(=O)C(CO)NC(=O)C1CCNc2c(NC(=O)CCC(=O)C(=O)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/C50H72N14O20/c51-14-3-1-7-28(57-48(79)34(24-66)61-49(80)35-13-16-52-42-32(56-40(72)12-11-37(69)50(81)82)19-27-20-38(70)39(71)21-36(27)64(35)42)43(74)54-22-41(73)55-29(9-5-17-62(83)25-67)45(76)58-30-8-2-4-15-53-44(75)33(23-65)60-47(78)31(59-46(30)77)10-6-18-63(84)26-68/h19-21,25-26,28-31,33-35,65-66,83-84H,1-18,22-24,51H2,(H12,52,53,54,55,56,57,58,59,60,61,70,71,72,73,74,75,76,77,78,79,80,81,82)/p+1
InChIKeyOOKTZZFYKUZRIZ-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 1/1/1 (CHEBI:213610) is a peptide (CHEBI:16670)
IUPAC Name 
5-[[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]amino]-2,5-dioxopentanoic acid
Manual XrefsDatabases
78443810ChemSpider