CHEBI:185427 - N-[(2S,3S)-3-Hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecan-2-yl]octadecanimidic acid

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ChEBI Name N-[(2S,3S)-3-Hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecan-2-yl]octadecanimidic acid
ChEBI ID CHEBI:185427
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H85NO8
Net Charge 0
Average Mass 744.152
Monoisotopic Mass 743.62752
InChI InChI=1S/C43H85NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)44-36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,40-43,45-46,48-50H,3-35H2,1-2H3,(H,44,47)/t36-,37-,38+,40+,41-,42+,43+/m0/s1
InChIKey SYMIJCRAJBNLEL-YPQBUIQASA-N
SMILES O1[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)CCCCCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing N-[(2S,3S)-3-Hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecan-2-yl]octadecanimidic acid (CHEBI:185427) is a glycosphingolipid (CHEBI:24402)
IUPAC Name
N-[(2S,3S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadecan-2-yl]octadecanamide
Manual Xrefs Databases
393427 ChemSpider
C01808 KEGG COMPOUND
GM2 PDBeChem
HMDB0000770 HMDB
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