CHEBI:69596 - 13-N-demethyl-methylpendolmycin

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ChEBI Name 13-N-demethyl-methylpendolmycin
ChEBI ID CHEBI:69596
Definition A natural product found in Marinactinospora thermotolerans.
Stars This entity has been manually annotated by a third party.
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Download Molfile XML SDF
Formula C22H31N3O2
Net Charge 0
Average Mass 369.50040
Monoisotopic Mass 369.24163
InChI InChI=1S/C22H31N3O2/c1-6-13(3)19-21(27)24-15(12-26)10-14-11-23-20-16(22(4,5)7-2)8-9-17(25-19)18(14)20/h7-9,11,13,15,19,23,25-26H,2,6,10,12H2,1,3-5H3,(H,24,27)/t13-,15-,19-/m0/s1
InChIKey RNSOUHHDODDYEH-RFUYNDQBSA-N
SMILES [H][C@]1(Nc2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C)[C@@H](C)CC
Metabolite of Species Details
Marinactinospora thermotolerans (NCBI:txid531310) Found in spore (BTO:0001171). Crude extract of fermented medium inoculated with spores and mycelia of strain SCSIO 00652 See: PubMed
Marinactinospora thermotolerans (NCBI:txid531310) Found in mycelium (BTO:0001436). Crude extract of fermented medium inoculated with spores and mycelia of strain SCSIO 00652 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 13-N-demethyl-methylpendolmycin (CHEBI:69596) has role metabolite (CHEBI:25212)
13-N-demethyl-methylpendolmycin (CHEBI:69596) is a indoles (CHEBI:24828)
Citation Waiting for Citations Type Source
21977916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aralkylamine(CHEBI:18000); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:lactam(CHEBI:24995); ISA:carboxamide(CHEBI:37622); ISA:carboxylic acid(CHEBI:33575); ISA:secondary amine(CHEBI:32863); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);