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CHEBI:213782 - (E)-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-methylpent-2-enoic acid

ChEBI IDCHEBI:213782
ChEBI Name(E)-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-methylpent-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H44ClN7O8
Net Charge0
Average Mass750.253
Monoisotopic Mass749.29399
SMILESC=C(C)c1cnc2ccccc2c1-c1cc(C(=O)NC(C(=O)N2CC[C@@](C)(O)[C@H]2C(=O)N/C(C(=O)O)=C(\C)CC)C(Cl)C(O)CN=C(N)N)ccc1O
InChIInChI=1S/C37H44ClN7O8/c1-6-19(4)29(35(51)52)43-33(49)31-37(5,53)13-14-45(31)34(50)30(28(38)26(47)17-42-36(39)40)44-32(48)20-11-12-25(46)22(15-20)27-21-9-7-8-10-24(21)41-16-23(27)18(2)3/h7-12,15-16,26,28,30-31,46-47,53H,2,6,13-14,17H2,1,3-5H3,(H,43,49)(H,44,48)(H,51,52)(H4,39,40,42)/b29-19+/t26?,28?,30?,31-,37-/m1/s1
InChIKeyZTRAOVFHNGWOCE-WLKXQULFSA-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)
(E)-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-methylpent-2-enoic acid (CHEBI:213782) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(E)-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-methylpent-2-enoic acid
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