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

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ChEBI Name N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine
ChEBI ID CHEBI:90011
ChEBI ASCII Name N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine
Definition An N-hydroxytetradecenoylsphingosine-1-phosphocholine in which the N-acyl group is specified as (9Z)-3-hydroxytetradec-9-enoyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H73N2O7P
Net Charge 0
Average Mass 688.960
Monoisotopic Mass 688.51554
InChI InChI=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
InChIKey ZNHNJXWKKQKMBU-POWUNZFVSA-N
SMILES C(\CCCCCC(CC(=O)N[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])[C@@H](\C=C\CCCCCCCCCCCCC)O)O)=C\CCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in cerebrospinal fluid (UBERON:0001359). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): 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.
(via N-hydroxytetradecenoylsphingosine-1-phosphocholine )
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ChEBI Ontology
Outgoing 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 Sources
C14:1-OH Sphingomyelin HMDB
hydroxysphingomyeline C14:1 ChEBI
N-[(9Z)-3-hydroxytetradec-9-enoyl]sphing-4-enine-1-phosphocholine ChEBI
SM(d18:1/14:1(9Z)(OH)) HMDB
Manual Xrefs Databases
HMDB0013462 HMDB
Sphingomyelin Wikipedia
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Citations Waiting for Citations Types Sources
22546835 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
Last Modified
01 February 2016