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ChEBI
> Main
CHEBI:69600 - Pendolmycin
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ChEBI Ontology
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ChEBI Name
Pendolmycin
ChEBI ID
CHEBI:69600
Definition
A natural product found in
Marinactinospora thermotolerans
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H31N3O2
Net Charge
0
Average Mass
369.50040
Monoisotopic Mass
369.24163
InChI
InChI=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
InChIKey
JPJWIAYMFHOJRY-YWZLYKJASA-N
SMILES
CC(C)[C@@H]1N(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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-
one
ChEBI
Registry Number
Type
Source
119375-01-8
CAS Registry Number
ChemIDplus
Citation
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);