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CHEBI:221141 - Pyoverdin Pf 2/2/1

ChEBI IDCHEBI:221141
ChEBI NamePyoverdin Pf 2/2/1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H73N14O19
Net Charge+1
Average Mass1162.202
Monoisotopic Mass1161.51709
SMILESNCCCCC(NC(=O)C(CO)NC(=O)C1CCNc2c(NC(=O)CCC(=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/C49H72N14O19/c50-14-3-1-7-28(56-48(79)34(24-65)60-49(80)35-13-16-51-42-32(55-39(70)11-12-41(72)73)19-27-20-37(68)38(69)21-36(27)63(35)42)43(74)53-22-40(71)54-29(9-5-17-61(81)25-66)45(76)57-30-8-2-4-15-52-44(75)33(23-64)59-47(78)31(58-46(30)77)10-6-18-62(82)26-67/h19-21,25-26,28-31,33-35,64-65,81-82H,1-18,22-24,50H2,(H12,51,52,53,54,55,56,57,58,59,60,68,69,70,71,72,73,74,75,76,77,78,79,80)/p+1
InChIKeyMFDQLKLVRDAXEJ-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 2/2/1 (CHEBI:221141) is a peptide (CHEBI:16670)
IUPAC Name 
4-[[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]-4-oxobutanoic acid
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