(Q110077425)

English

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid

group of stereoisomers with the chemical formula C₄₂H₄₆N₄O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

862.290881392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₆N₄O₁₆

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canonical SMILES

O=C(O)CC1=C2C=C3N=C(C=C4N=C(C=C5NC(=CC(N2)=C1CCC(=O)O)C(=C5CC(=O)O)CCC(=O)O)C(C)(CC(=O)O)C4CCC(=O)O)C(C)(CC(=O)O)C3CCC(=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/C42H46N4O16/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/h13-16,23-24,43-44H,3-12,17-18H2,1-2H3,(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

AVBHZKNQGDKVEA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVBHZKNQGDKVEA-UHFFFAOYSA-N

1 reference

(Q110077425)

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid

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Identifiers

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