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CHEBI:220345 - Dentigerumycin

ChEBI IDCHEBI:220345
ChEBI NameDentigerumycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H67N9O13
Net Charge0
Average Mass882.026
Monoisotopic Mass881.48583
SMILESCCC[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(=O)N3NCCC[C@@H]3C(=O)N3NC[C@@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)O[C@H]2C(C)C)O[C@@H]1CC
InChIInChI=1S/C40H67N9O13/c1-8-12-24-15-16-40(59,62-29(24)9-2)39(7,58)38(57)45-30-31(21(3)4)61-37(56)22(5)44-32(51)28-19-25(50)20-43-48(28)34(53)26-13-10-17-41-46(26)33(52)23(6)49(60)35(54)27-14-11-18-42-47(27)36(30)55/h21-31,41-43,50,58-60H,8-20H2,1-7H3,(H,44,51)(H,45,57)/t22-,23-,24-,25-,26+,27+,28-,29+,30-,31-,39+,40+/m0/s1
InChIKeyBJUCZDYVLAQTFF-NABKGELOSA-N
Species of MetaboliteComponentSourceComments
Pseudonocardiaspecies (ncbitaxon:60912) - PubMed (19330011)
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 (CHEBI:220345) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(3R,10S,13R,20S,21S,24S,27S,29S)-11,29-dihydroxy-10,24-dimethyl-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]-2-[(2R,5S,6R)-6-ethyl-2-hydroxy-5-propyloxan-2-yl]-2-hydroxypropanamide
Manual XrefsDatabases
24604911ChemSpider