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CHEBI:208721 - Pyoverdin Pf CCM 2798

ChEBI IDCHEBI:208721
ChEBI NamePyoverdin Pf CCM 2798
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N17O20
Net Charge+1
Average Mass1203.171
Monoisotopic Mass1202.48210
SMILESC[C@H](NC(=O)[C@@H](CC(N)=O)N(O)C(=O)[C@H](CO)NC(=O)CNC(=O)C1CCN=C(C(CO)NC(=O)[C@@H]2CCNc3c(NC(=O)CC(O)C(N)=O)cc4cc(O)c(O)cc4[n+]32)N1)C(=O)NCC(=O)N[C@H](C)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C48H67N17O20/c1-20(42(77)54-16-37(74)58-24-4-3-9-63(84)47(24)82)56-36(73)15-53-43(78)21(2)57-46(81)30(13-34(49)71)65(85)48(83)27(19-67)60-38(75)17-55-44(79)23-5-7-51-40(61-23)26(18-66)62-45(80)28-6-8-52-41-25(59-35(72)14-33(70)39(50)76)10-22-11-31(68)32(69)12-29(22)64(28)41/h10-12,20-21,23-24,26-28,30,33,66-67,70,84-85H,3-9,13-19H2,1-2H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,68,69,71,72,73,74,75,76,77,78,79,80,81)/p+1/t20-,21+,23?,24+,26?,27+,28+,30-,33?/m1/s1
InChIKeyPZXWNCGKYBGCFQ-MLNIRCADSA-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 CCM 2798 (CHEBI:208721) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[2-[[2-[1-[[(1S)-5-[(4-amino-3-hydroxy-4-oxobutanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium-1-carbonyl]amino]-2-hydroxyethyl]-1,4,5,6-tetrahydropyrimidine-6-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-N-[(2S)-1-[[2-[[(2R)-1-[[2-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
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