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CHEBI:199026 - FR225659

ChEBI IDCHEBI:199026
ChEBI NameFR225659
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H42ClN7O8
Net Charge0
Average Mass736.226
Monoisotopic Mass735.27834
SMILESC=C(C)c1cnc2ccccc2c1-c1cc(C(=O)NC(C(=O)N2CC[C@@](C)(O)[C@H]2C(=O)NC(C(=O)O)=C(C)C)C(Cl)C(O)CN=C(N)N)ccc1O
InChIInChI=1S/C36H42ClN7O8/c1-17(2)22-15-40-23-9-7-6-8-20(23)26(22)21-14-19(10-11-24(21)45)31(47)43-29(27(37)25(46)16-41-35(38)39)33(49)44-13-12-36(5,52)30(44)32(48)42-28(18(3)4)34(50)51/h6-11,14-15,25,27,29-30,45-46,52H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)/t25?,27?,29?,30-,36-/m1/s1
InChIKeyUIKSOMFXGWTAID-DUUDCQCKSA-N
Species of MetaboliteComponentSourceComments
Helicomyces (ncbitaxon:301201) - PubMed (14563156)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR225659 (CHEBI:199026) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[(2S,3R)-1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-hydroxy-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid
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78445032ChemSpider