Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA004064

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA004064
CLUSTER ID	2160
NODE ID	1722
NAME	3874 H2
FORMULA	C59H88N2O18
MOLECULAR WEIGHT (Da)	1113.3490
ACCURATE MASS (Da)	1112.6032
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. (HAG 003874)
InChIKey	PBOTZSALXHPXBI-HSHSQRBMSA-N
InChI	InChI=1S/C59H88N2O18/c1-36-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(77-58-55(72)53(60)54(71)38(3)76-58)33-50-52(57(73)74)49(69)35-59(75,79-50)34-46(67)30-44(65)28-41(62)19-17-20-42(63)29-45(66)32-51(70)78-56(36)37(2)22-27-43(64)31-48(68)39-23-25-40(61-4)26-24-39/h5-16,18,21,23-26,36-38,41-47,49-50,52-56,58,61-67,69,71-72,75H,17,19-20,22,27-35,60H2,1-4H3,(H,73,74)/b6-5-,9-7-,10-8+,13-11+,14-12+,18-15+,21-16+/t36?,37?,38-,41?,42?,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1
SMILES	C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CCCC(CC(CC(=O)OC(C(/C=C/C=C/C=C\C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)O)O)N)O

ORIGINAL ISOLATION REFERENCE

CITATION	Vertesy, Laszlo; Aretz, Werner; Ehlers, Eberhard; Hawser, Stephen; Isert, Dieter; Knauf, Martin; Kurz, Michael; Schiell, Matthias; Vogel, Martin; Wink, Joachim 3874 H1 and H3, novel antifungal heptaene antibiotics produced by Streptomyces sp. HAG 003874 Journal of Antibiotics 1998 51 (10) 921-928.
DOI	10.7164/antibiotics.51.921	PMID	9917005

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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