(Q110173391)

English

3-[10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,13,15,17-octaen-4-yl]propanoic acid

group of stereoisomers with the chemical formula C₄₂H₄₈N₄O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

864.306531456 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₈N₄O₁₆

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canonical SMILES

O=C(O)CC1=C2C=C3N=C(C=C4NC(=CC=5NC(=C(C5CC(=O)O)CCC(=O)O)CC(N2)=C1CCC(=O)O)C(CCC(=O)O)C4(C)CC(=O)O)C(CCC(=O)O)C3(C)CC(=O)O

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found in taxon

Escherichia coli

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stated in

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI

InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)

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InChIKey

OQIIYZQTTMKFAU-UHFFFAOYSA-N

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(Q110173391)

3-[10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5,20-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),6,8,10,13,15,17-octaen-4-yl]propanoic acid

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Identifiers

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