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CHEBI:209043 - Dentigerumycin E

ChEBI IDCHEBI:209043
ChEBI NameDentigerumycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H63N9O16
Net Charge0
Average Mass913.980
Monoisotopic Mass913.43928
SMILESCC[C@H]1O[C@@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)CC(=O)N3NCCC[C@@H]3C(=O)N3NCCC[C@H]3C(=O)N(O)[C@@H]([C@@H](C)O)C(=O)O[C@H]2C(C)C)CC[C@@H]1CC(=O)O
InChIInChI=1S/C39H63N9O16/c1-6-26-22(18-28(51)52)13-14-39(60,64-26)38(5,59)37(58)43-29-31(20(2)3)63-36(57)30(21(4)49)48(62)34(55)25-12-9-16-41-46(25)33(54)24-11-8-15-40-45(24)27(50)19-44(61)32(53)23-10-7-17-42-47(23)35(29)56/h20-26,29-31,40-42,49,59-62H,6-19H2,1-5H3,(H,43,58)(H,51,52)/t21-,22-,23-,24-,25+,26-,29+,30+,31+,38-,39-/m1/s1
InChIKeyVDQDZLDSIFPYPX-XSZBLAOESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (30406080)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dentigerumycin E (CHEBI:209043) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(2R,3R,6R)-6-[(2S)-1-[[(3R,13R,20S,21S,24S,27S)-11,25-dihydroxy-24-[(1R)-1-hydroxyethyl]-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl]amino]-2-hydroxy-1-oxopropan-2-yl]-2-ethyl-6-hydroxyoxan-3-yl]acetic acid
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