Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA012161

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA012161
CLUSTER ID	26
NODE ID	25
NAME	Xentrivalpeptide H
FORMULA	C45H63N7O9
MOLECULAR WEIGHT (Da)	846.0390
ACCURATE MASS (Da)	845.4687
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. 85816
InChIKey	JACMSICGJTWEIY-JKZXPFHFSA-N
InChI	InChI=1S/C45H63N7O9/c1-9-31(46-34(53)24-30-19-14-11-15-20-30)39(54)51-38-28(8)61-45(60)37(27(6)7)50-42(57)36(26(4)5)49-41(56)35(25(2)3)48-40(55)33-21-16-22-52(33)44(59)32(47-43(38)58)23-29-17-12-10-13-18-29/h10-15,17-20,25-28,31-33,35-38H,9,16,21-24H2,1-8H3,(H,46,53)(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H,51,54)/t28-,31+,32-,33+,35+,36+,37+,38+/m1/s1
SMILES	CC[C@@H](C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CC3=CC=CC=C3)C(C)C)C(C)C)C(C)C)C)NC(=O)CC4=CC=CC=C4

ORIGINAL ISOLATION REFERENCE

CITATION	Zhou, Qiuqin; Dowling, Andrea; Heide, Heinrich; Wöhnert, Jens; Brandt, Ulrich; Baum, James; ffrench-Constant, Richard; Bode, Helge B. Xentrivalpeptides A-Q: Depsipeptide Diversification in Xenorhabdus Journal of Natural Products 2012 75 (10) 1717-1722.
DOI	10.1021/np300279g	PMID	23025386

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Morganellaceae	LPSN	1903414
Genus	Xenorhabdus	LPSN	626

CLASSYFIRE

Show		Hide
DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

Show		Hide
SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.2

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page