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CHEBI:207066 - Pseudomonas fluorescens BTP2 Pyoverdin

ChEBI IDCHEBI:207066
ChEBI NamePseudomonas fluorescens BTP2 Pyoverdin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N12O19
Net Charge0
Average Mass1049.018
Monoisotopic Mass1048.40977
SMILESCC(C)[C@H](NC(=O)[C@@H](CO)NC(=O)C1CCNc2c(NC(=O)CCC(N)=O)cc3cc(O)c(=O)cc-3n21)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H]1CCCN(O)C1=O)[C@@H](C)O)[C@H](O)C(=O)O
InChIInChI=1S/C43H60N12O19/c1-17(2)31(52-37(66)23(16-57)49-38(67)24-8-9-45-35-21(47-29(62)7-6-28(44)61)11-19-12-26(59)27(60)13-25(19)55(24)35)40(69)53-33(34(64)43(72)73)39(68)46-14-30(63)51-32(18(3)58)41(70)50-22(15-56)36(65)48-20-5-4-10-54(74)42(20)71/h11-13,17-18,20,22-24,31-34,45,56-59,64,74H,4-10,14-16H2,1-3H3,(H2,44,61)(H,46,68)(H,47,62)(H,48,65)(H,49,67)(H,50,70)(H,51,63)(H,52,66)(H,53,69)(H,72,73)/t18-,20+,22-,23-,24?,31+,32+,33+,34+/m1/s1
InChIKeyPYHRNECAEOQSFO-QKKIUPTKSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - DOI (10.1016/s0040-4039(01)01077-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudomonas fluorescens BTP2 Pyoverdin (CHEBI:207066) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-3-[[(2S)-2-[[(2R)-2-[[5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-[[2-[[(2S,3R)-3-hydroxy-1-[[(2R)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
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