CHEBI:206477 - Desotamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Desotamide A
ChEBI ID CHEBI:206477
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H52N8O7
Net Charge 0
Average Mass 696.850
Monoisotopic Mass 696.39590
InChI InChI=1S/C35H52N8O7/c1-7-20(6)30-35(50)42-27(15-28(36)44)31(46)38-17-29(45)39-26(14-21-16-37-23-11-9-8-10-22(21)23)33(48)40-24(12-18(2)3)32(47)41-25(13-19(4)5)34(49)43-30/h8-11,16,18-20,24-27,30,37H,7,12-15,17H2,1-6H3,(H2,36,44)(H,38,46)(H,39,45)(H,40,48)(H,41,47)(H,42,50)(H,43,49)/t20-,24+,25-,26+,27+,30+/m1/s1
InChIKey LJGXNPVJAKBNOK-DTWKRICWSA-N
SMILES O=C1N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1[C@@H](CC)C)=O)CC(C)C)=O)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)N
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Desotamide A (CHEBI:206477) is a oligopeptide (CHEBI:25676)
IUPAC Name
2-[(2S,8S,11S,14R,17S)-17-[(2R)-butan-2-yl]-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual Xref Database
157837 ChemSpider
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