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CHEBI:216412 - Dentigerumycin C

ChEBI IDCHEBI:216412
ChEBI NameDentigerumycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H60N8O12
Net Charge0
Average Mass784.909
Monoisotopic Mass784.43307
SMILESCC[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@H](C(=O)N2NCCC[C@@H]2C(=O)N(O)CC(=O)N2NCCC[C@@H]2C(=O)N2NCCC[C@H]2C(=O)O)[C@@H](O)C(C)C)O[C@@H]1CC
InChIInChI=1S/C35H60N8O12/c1-6-21-14-15-35(53,55-25(21)7-2)34(5,52)33(51)39-27(28(45)20(3)4)31(48)42-22(11-8-17-37-42)29(46)40(54)19-26(44)41-23(12-9-16-36-41)30(47)43-24(32(49)50)13-10-18-38-43/h20-25,27-28,36-38,45,52-54H,6-19H2,1-5H3,(H,39,51)(H,49,50)/t21-,22+,23+,24-,25+,27-,28-,34+,35+/m0/s1
InChIKeyDOSYPZGSPJJCQT-SAJQWLTGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies M41 (ncbitaxon:3059412) - PubMed (28326787)
ChEBI Ontology
Outgoing Relation(s)
Dentigerumycin C (CHEBI:216412) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(3S)-2-[(3R)-2-[2-[[(3R)-2-[(2S,3S)-2-[[(2S)-2-[(2R,5S,6R)-5,6-diethyl-2-hydroxyoxan-2-yl]-2-hydroxypropanoyl]amino]-3-hydroxy-4-methylpentanoyl]diazinane-3-carbonyl]-hydroxyamino]acetyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid
Manual XrefsDatabases
78439312ChemSpider