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CHEBI:218869 - Ro 09-1679

ChEBI IDCHEBI:218869
ChEBI NameRo 09-1679
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39N9O6
Net Charge0
Average Mass525.611
Monoisotopic Mass525.30233
SMILESCC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)/C=C/C(=O)O)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C22H39N9O6/c1-13(2)11-16(20(37)29-14(12-32)5-3-9-27-21(23)24)31-19(36)15(6-4-10-28-22(25)26)30-17(33)7-8-18(34)35/h7-8,12-16H,3-6,9-11H2,1-2H3,(H,29,37)(H,30,33)(H,31,36)(H,34,35)(H4,23,24,27)(H4,25,26,28)/b8-7+
InChIKeyJEMQVKFJKHWGJB-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1577670)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ro 09-1679 (CHEBI:218869) is a dipeptide (CHEBI:46761)
IUPAC Name 
(E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid
Manual XrefsDatabases
78444197ChemSpider