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CHEBI:225374 - Microcolin M

ChEBI IDCHEBI:225374
ChEBI NameMicrocolin M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H60N4O9
Net Charge0
Average Mass668.873
Monoisotopic Mass668.43603
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)N1C[C@@H](O)C[C@H]1C(=O)O)C(C)C)[C@@H](C)OC(C)=O
InChIInChI=1S/C34H60N4O9/c1-12-13-14-21(6)16-22(7)31(42)36(10)26(15-19(2)3)30(41)35-28(23(8)47-24(9)39)32(43)37(11)29(20(4)5)33(44)38-18-25(40)17-27(38)34(45)46/h19-23,25-29,40H,12-18H2,1-11H3,(H,35,41)(H,45,46)/t21-,22-,23-,25+,26+,27+,28+,29+/m1/s1
InChIKeyGMLAMSMDQXLNOI-RGVJTZTDSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (31468974)
ChEBI Ontology
Outgoing Relation(s)
Microcolin M (CHEBI:225374) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S,4S)-1-[(2S)-2-[[(2S,3R)-3-acetyloxy-2-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]butanoyl]-methylamino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
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81163325ChemSpider