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CHEBI:217825 - Pyoverdin Pf 3/4/3

ChEBI IDCHEBI:217825
ChEBI NamePyoverdin Pf 3/4/3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H71N14O18
Net Charge+1
Average Mass1144.187
Monoisotopic Mass1143.50653
SMILESNCCCCC(NC(=O)C(CO)NC(=O)C1CCNc2c(N3C(=O)CCC3=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/C49H70N14O18/c50-14-3-1-7-28(55-48(78)33(24-65)59-49(79)34-13-16-51-42-36(63-40(71)11-12-41(63)72)19-27-20-37(68)38(69)21-35(27)62(34)42)43(73)53-22-39(70)54-29(9-5-17-60(80)25-66)45(75)56-30-8-2-4-15-52-44(74)32(23-64)58-47(77)31(57-46(30)76)10-6-18-61(81)26-67/h19-21,25-26,28-34,64-65,80-81H,1-18,22-24,50H2,(H10,51,52,53,54,55,56,57,58,59,68,69,70,73,74,75,76,77,78,79)/p+1
InChIKeyYSHOYXWMVXTWRN-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 3/4/3 (CHEBI:217825) is a peptide (CHEBI:16670)
IUPAC Name 
N-[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]-5-(2,5-dioxopyrrolidin-1-yl)-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-1-carboxamide
Manual XrefsDatabases
78443812ChemSpider