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CHEBI:80048 - Pyoverdine I

ChEBI IDCHEBI:80048
ChEBI NamePyoverdine I
Stars
DownloadsMolfile
FormulaC55H83N17O22
Net Charge0
Average Mass1334.366
Monoisotopic Mass1333.58986
SMILES[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCN=C3C(NC(=O)CCC(=O)O)=Cc4cc(O)c(O)cc4N32)CCCCNC(=O)[C@]([H])([C@@H](C)O)NC1=O
InChIInChI=1S/C55H83N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-44,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37+,43+,44+/m1/s1
InChIKeyCVWNSOHSMMCZJU-YYVBLSOISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyoverdine I (CHEBI:80048) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15718KEGG COMPOUND