CHEBI:188192 - SM(d18:0/18:2)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SM(d18:0/18:2)
ChEBI ID CHEBI:188192
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H81N2O6P
Net Charge 0
Average Mass 729.081
Monoisotopic Mass 728.58323
InChI InChI=1S/C41H81N2O6P/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/h14,16,20-21,39-40,44H,6-13,15,17-19,22-38H2,1-5H3,(H-,42,45,46,47)/b16-14-,21-20-/t39-,40+/m0/s1
InChIKey LOHIJJRFCAEEGY-QPYJHBIRSA-N
SMILES P(OC[C@H](NC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing SM(d18:0/18:2) (CHEBI:188192) is a sphingomyelin (CHEBI:64583)
IUPAC Name
[(2S,3R)-3-hydroxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]octadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113381518 ChemSpider
LMSP03010049 LIPID MAPS
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