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CHEBI:137408 - (13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−)

ChEBI IDCHEBI:137408
ChEBI Name(13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−)
Stars
ASCII Name(13R)-glycinylcystein-S-yl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-)
DefinitionA docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha -amino group of (13R)-S-cysteinylglycinyl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoic acid; major species at pH 7.3.
Last Modified21 April 2022
Submitternhn
DownloadsMolfile
FormulaC27H39N2O6S
Net Charge-1
Average Mass519.684
Monoisotopic Mass519.25343
SMILESCC/C=C\C/C=C\C[C@H](O)[C@@H](/C=C/C=C/C=C\C/C=C\CCC(=O)[O-])SC[C@H]([NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C27H40N2O6S/c1-2-3-4-5-11-14-17-23(30)24(36-21-22(28)27(35)29-20-26(33)34)18-15-12-9-7-6-8-10-13-16-19-25(31)32/h3-4,6-7,9-15,18,22-24,30H,2,5,8,16-17,19-21,28H2,1H3,(H,29,35)(H,31,32)(H,33,34)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t22-,23-,24+/m0/s1
InChIKeyCPBQPRBQBDLLLA-VZUSUAOUSA-M
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (27791009)
ChEBI Ontology
Outgoing Relation(s)
(13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−) (CHEBI:137408) is a docosanoid anion (CHEBI:131864)
(13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−) (CHEBI:137408) is a peptide anion (CHEBI:60334)
(13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−) (CHEBI:137408) is conjugate base of (13R)-S-cysteinylglycinyl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoic acid (CHEBI:138206)
Incoming Relation(s)
(13R)-S-cysteinylglycinyl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoic acid (CHEBI:138206) is conjugate acid of (13R)-glycinylcystein-S-yl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoate(1−) (CHEBI:137408)
IUPAC Name 
(4Z,7Z,9E,11E,13R,14S,16 Z,19Z )-13-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate
Synonym  Source
MCTR2(1−)SUBMITTER
UniProt Name  Source
(13R)-S-cysteinylglycyl-(14S )-hydroxy-(4Z,7Z,9E,11E,16 Z,19Z )-docosahexaenoateUniProt
Citations