CHEBI:214586 - Chaiyaphumine C

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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 Chaiyaphumine C
ChEBI ID CHEBI:214586
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H42N6O7
Net Charge 0
Average Mass 658.756
Monoisotopic Mass 658.31150
InChI InChI=1S/C35H42N6O7/c1-4-29(42)40-30-21(3)48-35(47)27(18-23-19-36-25-14-9-8-13-24(23)25)39-32(44)28-15-10-16-41(28)34(46)20(2)37-31(43)26(38-33(30)45)17-22-11-6-5-7-12-22/h5-9,11-14,19-21,26-28,30,36H,4,10,15-18H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)(H,40,42)/t20-,21-,26-,27+,28+,30+/m1/s1
InChIKey QSPXSYVWKDXNNL-DXMRSHBNSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CC)C(=O)N[C@@H](C(=O)N[C@@H](C(N2[C@H](C(N[C@H]1CC=3C4=C(C=CC=C4)NC3)=O)CCC2)=O)C)CC5=CC=CC=C5)C
Metabolite of Species Details
Xenorhabdus (NCBI:txid626) 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 Chaiyaphumine C (CHEBI:214586) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3R,6R,9S,10R,13S,16S)-6-benzyl-13-(1H-indol-3-ylmethyl)-3,10-dimethyl-2,5,8,12,15-pentaoxo-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]propanamide
Manual Xref Database
34237534 ChemSpider
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