EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210145 - Jadomycin Oct

ChEBI IDCHEBI:210145
ChEBI NameJadomycin Oct
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N2O9
Net Charge0
Average Mass550.564
Monoisotopic Mass550.19513
SMILESCc1cc(O)c2c(c1)C1OC(=O)[C@@H](N)CCCN1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)C(C)O3)c2C1=O
InChIInChI=1S/C29H30N2O9/c1-12-9-15-21(17(32)10-12)23-24(31-8-4-6-16(30)29(37)40-28(15)31)27(36)22-14(26(23)35)5-3-7-19(22)39-20-11-18(33)25(34)13(2)38-20/h3,5,7,9-10,13,16,18,20,25,28,32-34H,4,6,8,11,30H2,1-2H3/t13?,16-,18+,20-,25-,28?/m0/s1
InChIKeyIIPQGVAAEKTISP-ZKQWNXQTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25692677)
ChEBI Ontology
Outgoing Relation(s)
Jadomycin Oct (CHEBI:210145) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(11S)-11-amino-19-[(2S,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-5-methyl-9-oxa-15-azapentacyclo[14.8.0.02,7.08,15.018,23]tetracosa-1(16),2(7),3,5,18(23),19,21-heptaene-10,17,24-trione