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CHEBI:220071 - Pf-5 pyoverdine

Default Structure
ChEBI IDCHEBI:220071
ChEBI NamePf-5 pyoverdine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H82N15O21
Net Charge+1
Average Mass1289.345
Monoisotopic Mass1288.58042
SMILESC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN(O)C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCNc3c(NC(=O)CCC(=O)O)cc4cc(O)c(O)cc4[n+]32)[C@@H](C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN(O)C=O)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C55H81N15O21/c1-28-47(80)59-29(2)48(81)62-33(12-8-20-68(89)26-71)50(83)65-35(11-5-7-18-57)55(88)91-30(3)45(54(87)60-28)67-51(84)32(10-4-6-17-56)63-49(82)34(13-9-21-69(90)27-72)64-52(85)37(24-44(78)79)66-53(86)38-16-19-58-46-36(61-42(75)14-15-43(76)77)22-31-23-40(73)41(74)25-39(31)70(38)46/h22-23,25-30,32-35,37-38,45,89-90H,4-21,24,56-57H2,1-3H3,(H13,58,59,60,61,62,63,64,65,66,67,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87)/p+1/t28-,29+,30+,32-,33+,34+,35-,37-,38-,45-/m0/s1
InChIKeySVXKHIPPUVZILX-KCLNMYHUSA-O
Species of MetaboliteComponentSourceComments
Pseudomonas protegens Pf-5 (ncbitaxon:220664) - PubMed (23222724)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pf-5 pyoverdine (CHEBI:220071) is a cyclodepsipeptide (CHEBI:35213)