CHEBI:184064 - Leukotriene d4 methyl ester

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ChEBI Name Leukotriene d4 methyl ester
ChEBI ID CHEBI:184064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42N2O6S
Net Charge 0
Average Mass 510.690
Monoisotopic Mass 510.27636
InChI InChI=1S/C26H42N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(29)16-15-18-25(32)34-2)35-20-21(27)26(33)28-19-24(30)31/h7-8,10-14,17,21-23,29H,3-6,9,15-16,18-20,27H2,1-2H3,(H,28,33)(H,30,31)/b8-7-,11-10-,13-12-,17-14-/t21?,22-,23?/m0/s1
InChIKey PVGJCQKBOXAJIF-YIWIDSIYSA-N
SMILES S(C([C@@H](O)CCCC(OC)=O)\C=C/C=C\C=C/C/C=C\CCCCC)CC(N)C(=O)NCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Leukotriene d4 methyl ester (CHEBI:184064) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[[2-amino-3-[(5S,7Z,9Z,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulanylpropanoyl]amino]acetic acid
Manual Xref Database
21467579 ChemSpider
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