EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222003 - (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione

ChEBI IDCHEBI:222003
ChEBI Name(3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O6
Net Charge0
Average Mass510.631
Monoisotopic Mass510.27299
SMILESCC[C@H]1C[C@@H]2C[C@H]3/C=C/C=C/C(=O)NCCCC4NC(=O)C(=C(O)/C=C/[C@H](O)[C@H]5O[C@@H]5[C@H]3[C@@H]2[C@H]1C)C4=O
InChIInChI=1S/C29H38N2O6/c1-3-16-13-18-14-17-7-4-5-9-22(34)30-12-6-8-19-26(35)25(29(36)31-19)20(32)10-11-21(33)27-28(37-27)24(17)23(18)15(16)2/h4-5,7,9-11,15-19,21,23-24,27-28,32-33H,3,6,8,12-14H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,9-5+,11-10+,25-20?/t15-,16-,17+,18+,19?,21-,23+,24+,27+,28+/m0/s1
InChIKeyNLTDYCOHPJIAFP-SDLZGQCTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (24305602)
ChEBI Ontology
Outgoing Relation(s)
(3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione (CHEBI:222003) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione