(Q104984691)

English

2-[[(9S)-9-hydroxy-3-methyldec-2-enoyl]amino]ethanesulfonic acid

chemical compound

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Statements

type of chemical entity

0 references

chemical compound

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307.1453439 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[[(Z,9S)-9-hydroxy-3-methyldec-2-enoyl]amino]ethanesulfonic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₂₅NO₅S

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canonical SMILES

CC(=CC(=O)NCCS(=O)(=O)O)CCCCCC(C)O

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isomeric SMILES

CC(=CC(=O)NCCS(=O)(=O)O)CCCCC[C@H](C)O

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1 reference

Suvanine sesterterpenes and deacyl irciniasulfonic acids from a tropical Coscinoderma sp. sponge

Identifiers

InChI=1S/C13H25NO5S/c1-11(6-4-3-5-7-12(2)15)10-13(16)14-8-9-20(17,18)19/h10,12,15H,3-9H2,1-2H3,(H,14,16)(H,17,18,19)/t12-/m0/s1

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DLTCJRMUDCXJQX-LBPRGKRZSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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