(Q105347838)

English

methyl (1S,3R,4R)-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-3,10,12-trihydroxy-4-methyl-6,11-dioxo-2,4-dihydro-1H-tetracene-5-carboxylate

group of stereoisomers with the chemical formula C₃₁H₃₇NO₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

anthracycline polyketide

1 reference

inferred from

anthracycline polyketide

mass

583.241746384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₇NO₁₀

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canonical SMILES

O=C(OC)C=1C=2C(=O)C=3C=CC=C(O)C3C(=O)C2C(O)=C4C1C(C)C(O)(CC)CC4OC5OC(C)C(O)C(N(C)C)C5

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isomeric SMILES

CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(C(=O)OC)c2[C@H]1C)C(=O)c1cccc(O)c1C3=O

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found in taxon

Streptomyces

1 reference

stated in

CytA, a reductase in the cytorhodin biosynthesis pathway, inactivates anthracycline drugs in Streptomyces

Identifiers

InChI

InChI=1S/C31H37NO10/c1-7-31(39)12-18(42-19-11-16(32(4)5)26(34)14(3)41-19)22-20(13(31)2)24(30(38)40-6)23-25(29(22)37)28(36)21-15(27(23)35)9-8-10-17(21)33/h8-10,13-14,16,18-19,26,33-34,37,39H,7,11-12H2,1-6H3/t13-,14?,16?,18+,19?,26?,31-/m1/s1

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InChIKey

YFVYAVQSWAVQQP-BZDVTTQZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YFVYAVQSWAVQQP-BZDVTTQZSA-N

(Q105347838)

methyl (1S,3R,4R)-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-3,10,12-trihydroxy-4-methyl-6,11-dioxo-2,4-dihydro-1H-tetracene-5-carboxylate

Statements

Identifiers

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