EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218962 - Ketomemicin B3

ChEBI IDCHEBI:218962
ChEBI NameKetomemicin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34N6O4
Net Charge0
Average Mass494.596
Monoisotopic Mass494.26415
SMILESNC(N)=NCCC[C@H](N=C(N)N)C(=O)[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H34N6O4/c27-25(28)31-13-7-12-21(32-26(29)30)23(34)20(15-18-10-5-2-6-11-18)22(33)16-19(24(35)36)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,35,36)(H4,27,28,31)(H4,29,30,32)/t19-,20+,21+/m1/s1
InChIKeyMJWKWTWOJQCUML-HKBOAZHASA-N
Species of MetaboliteComponentSourceComments
Streptomyces mobaraensis (ncbitaxon:35621) - PubMed (27023439)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ketomemicin B3 (CHEBI:218962) is a benzenes (CHEBI:22712)
Ketomemicin B3 (CHEBI:218962) is a organic amino compound (CHEBI:50047)
IUPAC Name 
(2R,5S,7S)-2,5-dibenzyl-7,10-bis(diaminomethylideneamino)-4,6-dioxodecanoic acid