CHEBI:230204 - DG(10:0/LTE4/0:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DG(10:0/LTE4/0:0)
ChEBI ID CHEBI:230204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H61NO8S
Net Charge 0
Average Mass 667.940
Monoisotopic Mass 667.41179
InChI InChI=1S/C36H61NO8S/c1-3-5-7-9-11-12-13-14-15-17-18-20-24-33(32(39)23-22-25-34(40)41)46-29-31(37)36(43)45-30(27-38)28-44-35(42)26-21-19-16-10-8-6-4-2/h11-12,14-15,17-18,20,24,30-33,38-39H,3-10,13,16,19,21-23,25-29,37H2,1-2H3,(H,40,41)/b12-11-,15-14-,18-17+,24-20+/t30-,31-,32-,33+/m0/s1
InChIKey ITCNXQGVIXCKSL-XXXOFKRQSA-N
SMILES S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCC)CO)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(10:0/LTE4/0:0) (CHEBI:230204) is a leukotriene (CHEBI:25029)
IUPAC Name
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl]oxy-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual Xrefs Databases
117213676 ChemSpider
HMDB0294473 HMDB
View more database links