(Q105348788)

English

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

623.30943202 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E)-4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₅H₄₅NO₉

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canonical SMILES

CC1=CC(C)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC=CC(=O)NC2=C(C)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O

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isomeric SMILES

CC1=C2NC(=O)/C=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O

0 references

found in taxon

Streptomyces leeuwenhoekii

3 references

stated in

Chaxamycins A-D, bioactive ansamycins from a hyper-arid desert Streptomyces sp.

stated in

Identification and Heterologous Expression of the Chaxamycin Biosynthesis Gene Cluster from Streptomyces leeuwenhoekii

stated in

Analysis of metabolic networks of Streptomyces leeuwenhoekii C34 by means of a genome scale model: Prediction of modifications that enhance the production of specialized metabolites

Identifiers

InChI

InChI=1S/C35H45NO9/c1-15-11-9-10-12-24(37)36-27-19(5)34(44)25-23(35(27)45)14-18(4)31(41)26(25)30(40)17(3)13-16(2)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-16,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,37)/b11-9+,12-10+,17-13+/t15-,16-,20+,21+,22+,28-,29-,32+,33+/m0/s1

0 references

InChIKey

YIELQFCSZNNHLS-XQUQXHICSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YIELQFCSZNNHLS-XQUQXHICSA-N

(Q105348788)

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone

Statements

Identifiers

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