(Q105025052)

English

3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid

group of stereoisomers with the chemical formula C₅₉H₁₀₅N₃O₁₈

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instance of

group of stereoisomers

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1 reference

1,143.7393135200005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₉H₁₀₅N₃O₁₈

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canonical SMILES

O=C(O)CC(=O)OC1CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(OC(=O)C(C)C(O)CCC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)C1)C(C)CC(C)CCCC=CCCCNC(=N)NC

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Identifiers

InChI

InChI=1S/C59H105N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-20,34-52,55-56,63-71,75,77H,12-14,17-18,21-33H2,1-9H3,(H,72,73)(H3,60,61,62)

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InChIKey

HATCCILQDUAOKX-UHFFFAOYSA-N

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PubChem CID

85287341

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HATCCILQDUAOKX-UHFFFAOYSA-N

(Q105025052)

3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid

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