(Q115948097)

English

(S)-3-Hydroxytetradecanoyl-CoA; (Acyl-CoA); [M+H]+

group of stereoisomers with the chemical formula C₃₅H₆₂N₇O₁₈P₃S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

993.308489034 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₂N₇O₁₈P₃S

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canonical SMILES

O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(O)CCCCCCCCCCC

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found in taxon

Phaseolus vulgaris

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stated in

Metabolomics and Transcriptomics Identify Multiple Downstream Targets of Paraburkholderia phymatum σ54 During Symbiosis with Phaseolus vulgaris.

Homo sapiens

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stated in

A community-driven global reconstruction of human metabolism.

Escherichia coli

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)

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InChIKey

OXBHKMHNDGRDCZ-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OXBHKMHNDGRDCZ-UHFFFAOYSA-N

1 reference

(Q115948097)

(S)-3-Hydroxytetradecanoyl-CoA; (Acyl-CoA); [M+H]+

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