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CHEBI:216418 - Dentigerumycin D

ChEBI IDCHEBI:216418
ChEBI NameDentigerumycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61N9O11
Net Charge0
Average Mass783.925
Monoisotopic Mass783.44905
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(N)=O)[C@@H](O)C(C)C)O[C@@H]1CC
InChIInChI=1S/C35H61N9O11/c1-6-21-14-15-35(53,55-25(21)7-2)34(5,52)33(51)40-27(28(46)20(3)4)32(50)44-23(12-9-18-39-44)30(48)41(54)19-26(45)42-24(13-10-16-37-42)31(49)43-22(29(36)47)11-8-17-38-43/h20-25,27-28,37-39,46,52-54H,6-19H2,1-5H3,(H2,36,47)(H,40,51)/t21-,22-,23+,24+,25+,27-,28-,34+,35+/m0/s1
InChIKeyNIDPMOKUGHZFRK-TXQHLCBRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies M41 (ncbitaxon:3059412) - PubMed (28326787)
ChEBI Ontology
Outgoing Relation(s)
Dentigerumycin D (CHEBI:216418) 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-carboxamide
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