(Q110202756)

English

2-Succinylbenzoyl-coenzyme A

group of stereoisomers with the chemical formula C₃₂H₄₄N₇O₂₀P₃S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

971.157467698 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄N₇O₂₀P₃S

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canonical SMILES

O=C(O)CCC(=O)C=1C=CC=CC1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2OP(=O)(O)O

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found in taxon

Escherichia coli

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-10-9-21(41)34-11-12-63-31(47)18-6-4-3-5-17(18)19(40)7-8-22(42)43)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(44)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,44-45H,7-14H2,1-2H3,(H,34,41)(H,35,46)(H,42,43)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)

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InChIKey

AVOVYFCDODUXLY-UHFFFAOYSA-N

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CAS Registry Number

72471-59-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVOVYFCDODUXLY-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

AVOVYFCDODUXLY-UHFFFAOYSA-N

(Q110202756)

2-Succinylbenzoyl-coenzyme A

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