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CHEBI:198963 - Citrinadin C

ChEBI IDCHEBI:198963
ChEBI NameCitrinadin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50N4O6
Net Charge0
Average Mass610.796
Monoisotopic Mass610.37304
SMILESCN[C@H](C(=O)O[C@H]1C[C@@H]2C[C@]3(O)C(C)(C)[C@]4(C[C@@]3(NC)CN2[C@@H](C)C1)C(=O)Nc1c(C(=O)[C@H]2OC2(C)C)cccc14)C(C)C
InChIInChI=1S/C34H50N4O6/c1-18(2)24(35-8)28(40)43-21-13-19(3)38-17-32(36-9)16-33(31(6,7)34(32,42)15-20(38)14-21)23-12-10-11-22(25(23)37-29(33)41)26(39)27-30(4,5)44-27/h10-12,18-21,24,27,35-36,42H,13-17H2,1-9H3,(H,37,41)/t19-,20+,21+,24-,27+,32+,33-,34-/m0/s1
InChIKeyQADGRUZLZSCZEY-HJQJXPTNSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies OT59 (ncbitaxon:1460272) - PubMed (25058318)
ChEBI Ontology
Outgoing Relation(s)
Citrinadin C (CHEBI:198963) has functional parent δ-amino acid (CHEBI:35931)
Citrinadin C (CHEBI:198963) is a organonitrogen compound (CHEBI:35352)
Citrinadin C (CHEBI:198963) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-3-methyl-2-(methylamino)butanoate
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