CHEBI:230927 - Cer(t18:0/LTE4)

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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 Cer(t18:0/LTE4)
ChEBI ID CHEBI:230927
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H74N2O7S
Net Charge 0
Average Mass 739.110
Monoisotopic Mass 738.52167
InChI InChI=1S/C41H74N2O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-37(46)40(49)35(32-44)43-41(50)34(42)33-51-38(36(45)29-27-31-39(47)48)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,22,24,26,30,34-38,40,44-46,49H,3-11,13,15-17,19,21,23,25,27-29,31-33,42H2,1-2H3,(H,43,50)(H,47,48)/b14-12-,20-18-,24-22+,30-26+/t34-,35-,36-,37?,38+,40?/m0/s1
InChIKey GSCKCDNNKNVICD-RVUVIFDUSA-N
SMILES S(C[C@H](N)C(=O)N[C@H](C(O)C(O)CCCCCCCCCCCCCC)CO)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cer(t18:0/LTE4) (CHEBI:230927) is a hydroxy fatty acid (CHEBI:24654)
Cer(t18:0/LTE4) (CHEBI:230927) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-oxo-3-[[(2S)-1,3,4-trihydroxyoctadecan-2-yl]amino]propyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Manual Xref Database
HMDB0290166 HMDB
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