(Q27125896)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

6 October 2016

chemical formula

C₂₃H₃₆NO₆S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(CCC=CCC=CC=CC=CC(C(CCCC(=O)[O-])O)SCC(C(=O)[O-])[NH3+])CCO

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

6 October 2016

isomeric SMILES

C(CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+])CCO

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

BJRMBXPQAMDCMG-CMJQBAFXSA-M

6 October 2016

InChIKey

2 references

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxy-7,9,11,14-icosatetraenoate (English)

6 October 2016

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate (English)

6 October 2016

ChEBI ID

58584

mapping relation type

1 reference