EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216425 - Dentigerumycin B

ChEBI IDCHEBI:216425
ChEBI NameDentigerumycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H65N9O14
Net Charge0
Average Mass883.998
Monoisotopic Mass883.46510
SMILESCC[C@H]1CC[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)O[C@@H]1CC
InChIInChI=1S/C39H65N9O14/c1-7-23-15-16-39(58,62-27(23)8-2)38(6,57)37(56)43-29-31(21(3)4)61-36(55)30(22(5)49)48(60)34(53)26-14-11-18-41-46(26)33(52)25-13-10-17-40-45(25)28(50)20-44(59)32(51)24-12-9-19-42-47(24)35(29)54/h21-27,29-31,40-42,49,57-60H,7-20H2,1-6H3,(H,43,56)/t22-,23-,24+,25+,26-,27+,29-,30+,31-,38+,39+/m0/s1
InChIKeyLIDQMIXLFKMPRJ-ALHWGSAKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies M41 (ncbitaxon:3059412) - PubMed (28326787)
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 B (CHEBI:216425) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[(2R,5S,6R)-5,6-diethyl-2-hydroxyoxan-2-yl]-N-[(3R,13R,20S,21S,24R,27S)-11,25-dihydroxy-24-[(1S)-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]-2-hydroxypropanamide
Manual XrefsDatabases
78439314ChemSpider