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CHEBI:203606 - 2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid

ChEBI IDCHEBI:203606
ChEBI Name2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H42ClN7O7
Net Charge0
Average Mass720.227
Monoisotopic Mass719.28342
SMILESC=C(C)c1cnc2ccccc2c1-c1cc(C(=O)NC(C(=O)N2CCC(C)C2C(=O)NC(C(=O)O)=C(C)C)C(Cl)C(O)CN=C(N)N)ccc1O
InChIInChI=1S/C36H42ClN7O7/c1-17(2)23-15-40-24-9-7-6-8-21(24)27(23)22-14-20(10-11-25(22)45)32(47)43-30(28(37)26(46)16-41-36(38)39)34(49)44-13-12-19(5)31(44)33(48)42-29(18(3)4)35(50)51/h6-11,14-15,19,26,28,30-31,45-46H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)
InChIKeyANYWIYLMLRVZRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Helicomycesspecies (ncbitaxon:2029575) - 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)
2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid (CHEBI:203606) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid
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