CHEBI:198169 - Chaiyaphumine 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 Chaiyaphumine A
ChEBI ID CHEBI:198169
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H44N6O7
Net Charge 0
Average Mass 720.827
Monoisotopic Mass 720.32715
InChI InChI=1S/C40H44N6O7/c1-24-39(51)46-19-11-18-33(46)37(49)44-32(22-28-23-41-30-17-10-9-16-29(28)30)40(52)53-25(2)35(45-34(47)21-27-14-7-4-8-15-27)38(50)43-31(36(48)42-24)20-26-12-5-3-6-13-26/h3-10,12-17,23-25,31-33,35,41H,11,18-22H2,1-2H3,(H,42,48)(H,43,50)(H,44,49)(H,45,47)/t24-,25-,31-,32+,33+,35+/m1/s1
InChIKey YZLRYEXQPAXUDX-WRECJYPKSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CC2=CC=CC=C2)C(=O)N[C@@H](C(=O)N[C@@H](C(N3[C@H](C(N[C@H]1CC=4C5=C(C=CC=C5)NC4)=O)CCC3)=O)C)CC6=CC=CC=C6)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 A (CHEBI:198169) 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]-2-phenylacetamide
Manual Xref Database
32033783 ChemSpider
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