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CHEBI:90011 - N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine

ChEBI IDCHEBI:90011
ChEBI NameN-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine
Stars
ASCII NameN-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine
DefinitionAn N-hydroxytetradecenoylsphingosine-1-phosphocholine in which the N-acyl group is specified as (9Z)-3-hydroxytetradec-9-enoyl.
Last Modified1 February 2016
DownloadsMolfile
FormulaC37H73N2O7P
Net Charge0
Average Mass688.972
Monoisotopic Mass688.51554
SMILESCCCC/C=C\CCCCCC(O)CC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C37H73N2O7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(41)35(33-46-47(43,44)45-31-30-39(3,4)5)38-37(42)32-34(40)28-26-24-22-20-15-13-11-9-7-2/h13,15,27,29,34-36,40-41H,6-12,14,16-26,28,30-33H2,1-5H3,(H-,38,42,43,44)/b15-13-,29-27+/t34?,35-,36+/m0/s1
InChIKeyZNHNJXWKKQKMBU-POWUNZFVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
cerebrospinal fluid (UBERON:0001359) PubMed (22546835)
urine (BTO:0001419) PubMed (24023812)
- MetaboLights (MTBLS192)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine (CHEBI:90011) has role human urinary metabolite (CHEBI:84087)
N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine (CHEBI:90011) is a N-hydroxytetradecenoylsphingosine-1-phosphocholine (CHEBI:85597)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-{[(9Z)-3-hydroxytetradec-9-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
C14:1-OH SphingomyelinHMDB
N-[(9Z)-3-hydroxytetradec-9-enoyl]sphing-4-enine-1-phosphocholineChEBI
SM(d18:1/14:1(9Z)(OH))HMDB
hydroxysphingomyeline C14:1ChEBI
Manual XrefsDatabases
HMDB0013462HMDB
SphingomyelinWikipedia
Citations