(Q27105017)

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

5 October 2016

chemical formula

C₁₉H₂₉NO₇S

1 reference

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

5 October 2016

canonical SMILES

C(CC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N)CC(=O)O

1 reference

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

5 October 2016

isomeric SMILES

C(C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N)CC(=O)O

1 reference

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

InChI=1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

5 October 2016

2 references

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

16-carboxy-17,18,19,20-tetranor-leukotriene E3 (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=122069-63-0

9 April 2021

1 reference

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-12-hydroxy-5,7,9-hexadecatrienedioic acid (English)

5 October 2016

2 references

(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid (English)

matched by identifier from

5 October 2016

Reaxys registry number

4577467

1 reference

16-carboxy-17,18,19,20-tetranor-leukotriene E3 (English)

5 October 2016

ChEBI ID

74014

mapping relation type

2 references

16-carboxy-17,18,19,20-tetranor-leukotriene E3 (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1

1 reference

1 reference

matched by identifier from

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference