(Q105131957)

English

(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6S)-5-amino-3-hydroxy-6-methyl-4-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid

chemical compound

In more languages

Statements

type of chemical entity

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anthracycline polyketide

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842.238177124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₂N₂O₁₉

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canonical SMILES

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O

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isomeric SMILES

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](CO)C(=O)O)c1O)[C@H](O[C@@H]1O[C@@H](C)[C@H](N)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@H]1O)[C@H]3O)C2=O

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Actinomadura hibisca

1 reference

Pradimicins M, N, O and P, new dihydrobenzo[a]naphthacenequinones produced by blocked mutants of Actinomadura hibisca P157-2

Identifiers

InChI=1S/C39H42N2O19/c1-10-4-16-23(30(49)20(10)36(53)41-17(8-42)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(43)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(40)11(2)58-39)60-38-32(51)29(48)19(44)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,42-44,47-52H,8-9,40H2,1-3H3,(H,41,53)(H,54,55)/t11-,17+,19-,25-,28-,29-,32-,33+,34-,35-,38-,39-/m0/s1

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JNJSOWKXFVKKCL-ANRQNWRLSA-N

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2 references

15 September 2022

matched by identifier from

JNJSOWKXFVKKCL-ANRQNWRLSA-N

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