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CHEBI:217955 - Desacetylmicrocolin B

ChEBI IDCHEBI:217955
ChEBI NameDesacetylmicrocolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H63N5O7
Net Charge0
Average Mass689.939
Monoisotopic Mass689.47275
SMILESCCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)O
InChIInChI=1S/C37H63N5O7/c1-12-13-15-24(6)21-25(7)34(46)39(10)29(20-22(2)3)33(45)38-31(27(9)43)36(48)40(11)32(23(4)5)37(49)41-19-14-16-28(41)35(47)42-26(8)17-18-30(42)44/h17-18,22-29,31-32,43H,12-16,19-21H2,1-11H3,(H,38,45)/t24-,25-,26+,27-,28+,29+,31+,32+/m1/s1
InChIKeyLMOADMWPBSXHHB-CRVYFHMBSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (19431099)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desacetylmicrocolin B (CHEBI:217955) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,4R)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide
Manual XrefsDatabases
8708049ChemSpider