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CHEBI:69600 - Pendolmycin

ChEBI IDCHEBI:69600
ChEBI NamePendolmycin
Stars
DefinitionA natural product found in Marinactinospora thermotolerans.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H31N3O2
Net Charge0
Average Mass369.509
Monoisotopic Mass369.24163
SMILESC=CC(C)(C)c1ccc2c3c(cnc13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C22H31N3O2/c1-7-22(4,5)16-8-9-17-18-14(11-23-19(16)18)10-15(12-26)24-21(27)20(13(2)3)25(17)6/h7-9,11,13,15,20,23,26H,1,10,12H2,2-6H3,(H,24,27)/t15-,20-/m0/s1
InChIKeyJPJWIAYMFHOJRY-YWZLYKJASA-N
Species of MetaboliteComponentSourceComments
Marinactinospora thermotolerans (ncbitaxon:531310)
spore (BTO:0001171) PubMed (21977916) Crude extract of fermented medium inoculated with spores and mycelia Strain: SCSIO 00652
mycelium (BTO:0001436) PubMed (21977916) Crude extract of fermented medium inoculated with spores and mycelia Strain: SCSIO 00652
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pendolmycin (CHEBI:69600) has role metabolite (CHEBI:25212)
Pendolmycin (CHEBI:69600) is a indoles (CHEBI:24828)
Synonym  Source
(2S,5S)-5-(Hydroxymethyl)-2-isopropyl-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-oneChEBI
Registry NumbersSources
CAS:119375-01-8ChemIDplus
Citations