CHEBI:212646 - Mirabimide B

ChEBI IDCHEBI:212646
ChEBI NameMirabimide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54N4O7
Net Charge0
Average Mass606.805
Monoisotopic Mass606.39925
SMILESCC[C@H](C)[C@H](OC(=O)[C@H](CC(C)C)N(C)C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N1C(=O)C=C(OC)[C@H]1C(C)C)C(C)C
InChIInChI=1S/C32H54N4O7/c1-12-21(8)28(43-32(41)23(34(9)10)16-18(2)3)29(38)33-26(19(4)5)31(40)35-15-13-14-22(35)30(39)36-25(37)17-24(42-11)27(36)20(6)7/h17-23,26-28H,12-16H2,1-11H3,(H,33,38)/t21-,22+,23-,26-,27+,28-/m0/s1
InChIKeyDMUKYVSONYODRF-IINHIXHCSA-N
Species of MetaboliteComponentSourceComments
Scytonema (ncbitaxon:1203) - DOI (10.1016/s0040-4020(01)96119-8)
ChEBI Ontology
Outgoing Relation(s)
Mirabimide B (CHEBI:212646) is a leucine derivative (CHEBI:47003)
IUPAC Name 
[(2S,3S)-1-[[(2S)-1-[(2R)-2-[(2R)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl] (2S)-2-(dimethylamino)-4-methylpentanoate