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CHEBI:209827 - Pyoverdin

ChEBI IDCHEBI:209827
ChEBI NamePyoverdin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N15O20
Net Charge+1
Average Mass1175.157
Monoisotopic Mass1174.47596
SMILESNC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCN(O)C=O)NC(=O)C1CCN=C(C(CO)NC(=O)[C@@H]2CCNc3c(NC(=O)CCC(=O)O)cc4cc(O)c(O)cc4[n+]32)N1)C(=O)NC(CCCN(O)C=O)C(=O)NCC(=O)O
InChIInChI=1S/C48H67N15O20/c49-36(69)7-5-27(45(78)56-25(3-1-15-61(82)22-65)43(76)53-20-40(74)75)59-46(79)28(6-8-37(50)70)58-44(77)26(4-2-16-62(83)23-66)57-47(80)29-11-13-51-41(55-29)31(21-64)60-48(81)32-12-14-52-42-30(54-38(71)9-10-39(72)73)17-24-18-34(67)35(68)19-33(24)63(32)42/h17-19,22-23,25-29,31-32,64,82-83H,1-16,20-21H2,(H16,49,50,51,52,53,54,55,56,57,58,59,60,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81)/p+1/t25?,26?,27?,28?,29?,31?,32-/m0/s1
InChIKeyNTMRGNGSPRGFGC-RAVWKCBISA-O
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (2509364)
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 (CHEBI:209827) is a oligopeptide (CHEBI:25676)
IUPAC Name 
4-[[(1S)-1-[[1-[6-[[1-[[5-amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-5-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78443814ChemSpider