CHEBI:74057 - (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4

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ChEBI Name (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4
ChEBI ID CHEBI:74057
ChEBI ASCII Name (13E)-16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4
Definition A 16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 in which the double bond at position 13-14 has E-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H27NO7S
Net Charge 0
Average Mass 413.48500
Monoisotopic Mass 413.15082
InChI InChI=1S/C19H27NO7S/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/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15-,16+/m0/s1
InChIKey MAFGRSDWXFSHMK-SJPGQPHYSA-N
SMILES N[C@@H](CS[C@H](\C=C\C=C\C=C/C=C/CC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74057) is a 16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016)
IUPAC Names
(3E,5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
(3E,5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
Synonyms Sources
(13E)-16-carboxy-Δ13-17,18,19,20-tetranor-LTE4 ChEBI
(13E)-16-carboxy-Δ13-17,18,19,20-tetranor-LTE4 ChEBI
(13E)-16-carboxy-Δ13-tetranor-LTE4 ChEBI
13E-tetranor-16-carboxy-LTE4 HMDB
Manual Xref Database
HMDB0012575 HMDB
View more database links
Last Modified
11 June 2013