EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218220 - LL-BMgamma2

ChEBI IDCHEBI:218220
ChEBI NameLL-BMgamma2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H59N13O13
Net Charge0
Average Mass893.957
Monoisotopic Mass893.43553
SMILESC[C@H]1O[C@H](Oc2ccc(/C=C/C(=O)NCCCNCCCCN)cc2)[C@H](N=C(N)N)[C@@H](O)[C@@H]1NC(=O)N[C@H]1OC[C@@H](O[C@@H]2OC[C@H]3OC(=O)N[C@@H]3[C@H]2NC(N)=O)[C@H](O)[C@H]1NC(N)=O
InChIInChI=1S/C37H59N13O13/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-/m1/s1
InChIKeyJFKMOESWBQOEER-DXFZHRLCSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies (ncbitaxon:1821) - PubMed (670082)
ChEBI Ontology
Outgoing Relation(s)
LL-BMgamma2 (CHEBI:218220) is a cinnamamides (CHEBI:23247)
IUPAC Name 
(E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-(4-aminobutylamino)propyl]prop-2-enamide
Manual XrefsDatabases
5022839ChemSpider