CHEBI:68985 - Jadomycin DNL

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ChEBI Name Jadomycin DNL
ChEBI ID CHEBI:68985
Definition A natural product found in Streptomyces venezuelae ISP5230.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H31NO9
Net Charge 0
Average Mass 549.56840
Monoisotopic Mass 549.19988
InChI InChI=1S/C30H31NO9/c1-4-5-8-17-30(37)40-29-16-10-13(2)11-18(32)22(16)24-25(31(17)29)28(36)23-15(27(24)35)7-6-9-20(23)39-21-12-19(33)26(34)14(3)38-21/h6-7,9-11,14,17,19,21,26,29,32-34H,4-5,8,12H2,1-3H3/t14-,17+,19+,21-,26-,29?/m0/s1
InChIKey YMBCQAMVBMTDAL-BEJQPSFTSA-N
SMILES CCCC[C@H]1N2C(OC1=O)c1cc(C)cc(O)c1C1=C2C(=O)c2c(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)cccc2C1=O
Metabolite of Species Details
Streptomyces venezuelae ISP5230 (NCBI:txid953739) compound is 1.65:1(3aS:3aR) diastereomeric mixture of strain VS1099 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Jadomycin DNL (CHEBI:68985) has role metabolite (CHEBI:25212)
Jadomycin DNL (CHEBI:68985) is a isoquinolines (CHEBI:24922)
Citation Waiting for Citations Type Source
22050382 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenanthridines(CHEBI:51245); ISA:alpha-amino acid ester(CHEBI:46874); ISA:naphthoquinone(CHEBI:25481); ISA:quinolone(CHEBI:23765); ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:aromatic ketone(CHEBI:76224); ISA:hydroxytoluene(CHEBI:24751); ISA:p-quinone(CHEBI:25830); ISA:aralkylamine(CHEBI:18000); ISA:toluenes(CHEBI:27024); ISA:oxazolidinone(CHEBI:55374); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);