CHEBI:205492 - Nobilamide D

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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 Nobilamide D
ChEBI ID CHEBI:205492
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H46N6O8
Net Charge 0
Average Mass 690.798
Monoisotopic Mass 690.33771
InChI InChI=1S/C36H46N6O8/c1-7-26-36(49)50-22(5)30(35(48)41-29(20(2)3)34(47)37-21(4)31(44)39-26)42-33(46)28(19-25-16-12-9-13-17-25)40-32(45)27(38-23(6)43)18-24-14-10-8-11-15-24/h7-17,20-22,27-30H,18-19H2,1-6H3,(H,37,47)(H,38,43)(H,39,44)(H,40,45)(H,41,48)(H,42,46)/b26-7-/t21-,22+,27+,28-,29-,30+/m0/s1
InChIKey NUKXVWPUFGMEDK-MXUYVNIMSA-N
SMILES O=C/1O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(N[C@H](C(N\C1=C/C)=O)C)=O)C
Metabolite of Species Details
Streptomycesspecies CN48 (NCBI:txid1049553) See: PubMed
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 Nobilamide D (CHEBI:205492) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R)-2-acetamido-N-[(2S)-1-[[(3Z,6S,9S,12R,13R)-3-ethylidene-6,13-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
Manual Xref Database
27025556 ChemSpider
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