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CHEBI:200464 - Pyoverdin Pf/3 ATCC 17400

ChEBI IDCHEBI:200464
ChEBI NamePyoverdin Pf/3 ATCC 17400
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H82N19O18
Net Charge+1
Average Mass1297.376
Monoisotopic Mass1296.60797
SMILESC[C@@H](NC(=O)[C@H](CO)NC(=O)C1CCN=C([C@@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)N(O)C(=O)CNC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCNc3c(NC(=O)CCC(N)=O)cc4cc(O)c(O)cc4[n+]32)N1)C(=O)N[C@H]1CCCN(C)C1=O
InChIInChI=1S/C55H81N19O18/c1-26(49(85)70-32-8-6-18-72(3)55(32)91)64-52(88)34(25-75)71-51(87)31-13-16-60-46(67-31)29(9-10-40(57)78)68-54(90)37(22-42(59)80)74(92)45(83)24-62-44(82)23-63-50(86)30(7-4-5-15-56)69-48(84)27(2)65-53(89)35-14-17-61-47-33(66-43(81)12-11-41(58)79)19-28-20-38(76)39(77)21-36(28)73(35)47/h19-21,26-27,29-32,34-35,37,75,92H,4-18,22-25,56H2,1-3H3,(H18,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,76,77,78,79,80,81,82,84,85,86,87,88,89,90)/p+1/t26-,27-,29-,30-,31?,32+,34+,35+,37+/m1/s1
InChIKeyNQQRUSFXHCJNCZ-IKJDVBAPSA-O
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - DOI (10.1016/s0040-4039(00)97312-x)
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 ATCC 17400 (CHEBI:200464) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[2-[[2-[[(2R)-6-amino-2-[[(2R)-2-[[(1S)-5-[(4-amino-4-oxobutanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-1-carbonyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]acetyl]-hydroxyamino]-N-[(1R)-4-amino-1-[6-[[(2S)-3-hydroxy-1-[[(2R)-1-[[(3S)-1-methyl-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-4-oxobutyl]butanediamide
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