CHEBI:69599 - Methylpendolmycin

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ChEBI Name Methylpendolmycin
ChEBI ID CHEBI:69599
Definition A natural product found in Marinactinospora thermotolerans.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H33N3O2
Net Charge 0
Average Mass 383.52700
Monoisotopic Mass 383.25728
InChI InChI=1S/C23H33N3O2/c1-7-14(3)21-22(28)25-16(13-27)11-15-12-24-20-17(23(4,5)8-2)9-10-18(19(15)20)26(21)6/h8-10,12,14,16,21,24,27H,2,7,11,13H2,1,3-6H3,(H,25,28)/t14-,16-,21-/m0/s1
InChIKey DALRIICDQKRRFF-HTZUNMPGSA-N
SMILES [H][C@@]1([C@@H](C)CC)N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)C(C)(C)C=C
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.
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ChEBI Ontology
Outgoing Methylpendolmycin (CHEBI:69599) has role metabolite (CHEBI:25212)
Methylpendolmycin (CHEBI:69599) is a indoles (CHEBI:24828)
Synonym Source
(2S,5S)-2-[(2S)-2-Butanyl]-5-(hydroxymethyl)-1-methyl-9-(2-methyl-3-buten-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one ChEBI
Manual Xref Database
0138590600 ChemIDplus
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Citation Waiting for Citations Type Source
21977916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dialkylarylamine(CHEBI:23665); ISA:tertiary amino compound(CHEBI:50996); 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:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);