(Q115966280)

English

6-[2-[(4-Amino-4-carboxybutanoyl)amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

group of stereoisomers with the chemical formula C₂₈H₄₄N₂O₈S

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Statements

instance of

group of stereoisomers

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subclass of

organic anion

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tricarboxylic acid anion

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icosanoid anion

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leukotriene

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mass

568.281837368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄N₂O₈S

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canonical SMILES

O=C(O)CCCC(O)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C=CC=CC=CCC=CCCCCC

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found in taxon

Homo sapiens

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stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)

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InChIKey

PYSODLWHFWCFLV-UHFFFAOYSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PYSODLWHFWCFLV-UHFFFAOYSA-N

1 reference

(Q115966280)

6-[2-[(4-Amino-4-carboxybutanoyl)amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

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