CHEBI:68984 - Jadomycin DNV

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ChEBI Name Jadomycin DNV
ChEBI ID CHEBI:68984
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 C29H29NO9
Net Charge 0
Average Mass 535.54190
Monoisotopic Mass 535.18423
InChI InChI=1S/C29H29NO9/c1-4-6-16-29(36)39-28-15-9-12(2)10-17(31)21(15)23-24(30(16)28)27(35)22-14(26(23)34)7-5-8-19(22)38-20-11-18(32)25(33)13(3)37-20/h5,7-10,13,16,18,20,25,28,31-33H,4,6,11H2,1-3H3/t13-,16+,18+,20-,25-,28?/m0/s1
InChIKey UISVOFCCNUPNLI-PGFCNSGNSA-N
SMILES CCC[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 1.67:1(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 DNV (CHEBI:68984) has role metabolite (CHEBI:25212)
Jadomycin DNV (CHEBI:68984) 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);