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CHEBI:197632 - (E)-2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-methoxy-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:197632
ChEBI Name(E)-2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-methoxy-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
FormulaC38H46ClN7O8
Net Charge0
Average Mass764.280
Monoisotopic Mass763.30964
SMILESC=C(C)c1cnc2ccccc2c1-c1cc(C(=O)NC(C(=O)N2CCC(C)(O)C2C(=O)N/C(C(=O)O)=C(\C)CC)C(Cl)C(O)CN=C(N)N)ccc1OC
InChIInChI=1S/C38H46ClN7O8/c1-7-20(4)30(36(51)52)44-34(49)32-38(5,53)14-15-46(32)35(50)31(29(39)26(47)18-43-37(40)41)45-33(48)21-12-13-27(54-6)23(16-21)28-22-10-8-9-11-25(22)42-17-24(28)19(2)3/h8-13,16-17,26,29,31-32,47,53H,2,7,14-15,18H2,1,3-6H3,(H,44,49)(H,45,48)(H,51,52)(H4,40,41,43)/b30-20+
InChIKeyFQXJQQVRRYFDJH-TWKHWXDSSA-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-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-methoxy-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:197632) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(E)-2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-methoxy-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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