Terminology Service for NFDI4Health
JSON

N-oleoylsphinganine-1-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_134074

An N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of oleic acid with the amino group of sphinganine-1-phosphocholine.

Term info

Label

N-oleoylsphinganine-1-phosphocholine

Synonyms
  • (2S,3R)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadecyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R)-3-hydroxy-2-{[(9Z)-octadec-9-enoyl]amino}octadecyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C41H83N2O6P

has obo namespace

chebi_ontology

has related synonym

N-[(9Z)-octadecenoyl]sphinganine-1-phosphocholine, SM(d18:0/18:1(9Z)), (2-{[(2S,3R)-3-hydroxy-2-[(9Z)-octadec-9-enamido]octadecyl phosphonato]oxy}ethyl)trimethylazanium, C18:1DH Sphingomyelin, sphingomyelin (d18:0/18:1(9Z)), N-[(9Z)-octadecenoyl]dihydrsphingosine-1-phosphocholine, N-(9Z-Octadecenoyl)-sphinganine-1-phosphocholine

id

CHEBI:134074

inchi

InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,39-40,44H,6-19,22-38H2,1-5H3,(H-,42,45,46,47)/b21-20-/t39-,40+/m0/s1

inchikey

XYLWKHKCYHMVMA-RVPJYPCXSA-N

mass

731.083

monoisotopicmass

730.59888

smiles

N(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H](CCCCCCCCCCCCCCC)O)COP(=O)([O-])OCC[N+](C)(C)C