CHEBI:90007 - N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine
ChEBI ID CHEBI:90007
ChEBI ASCII Name N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine
Definition An N-hydroxyhexadecenoylsphingosine-1-phosphocholine in which the N-acyl group is specified as (9Z)-3-hydroxyhexadec-9-enoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C39H77N2O7P
Net Charge 0
Average Mass 717.013
Monoisotopic Mass 716.54684
InChI InChI=1S/C39H77N2O7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-38(43)37(35-48-49(45,46)47-33-32-41(3,4)5)40-39(44)34-36(42)30-28-26-24-22-20-17-15-13-11-9-7-2/h17,20,29,31,36-38,42-43H,6-16,18-19,21-28,30,32-35H2,1-5H3,(H-,40,44,45,46)/b20-17-,31-29+/t36?,37-,38+/m0/s1
InChIKey LPHMSPONPQCKTL-FKUNDBCPSA-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\CCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in cerebrospinal fluid (UBERON:0001359). 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-hydroxyhexadecenoylsphingosine-1-phosphocholine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine (CHEBI:90007) has role human urinary metabolite (CHEBI:84087)
N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine (CHEBI:90007) is a N-hydroxyhexadecenoylsphingosine-1-phosphocholine (CHEBI:85626)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-{[(9Z)-3-hydroxyhexadec-9-enoyl]amino}octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
C16:1-OH Sphingomyelin HMDB
hydroxysphingomyeline C16:1 ChEBI
N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphing-4-enine-1-phosphocholine ChEBI
SM(d18:1/16:1(9Z)(OH)) ChEBI
Manual Xrefs Databases
HMDB0013463 HMDB
Sphingomyelin Wikipedia
View more database links
Citations Waiting for Citations Types Sources
22546835 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
Last Modified
01 February 2016