CHEBI:137334 - SM(d18:1/12:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SM(d18:1/12:0)
ChEBI ID CHEBI:137334
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H71N2O6P
Net Charge 0
Average Mass 646.923
Monoisotopic Mass 646.50498
InChI InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h26,28,33-34,38H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b28-26+/t33-,34+/m0/s1
InChIKey HZCLJRFPXMKWHR-FEBLJDHQSA-N
SMILES O(CC[N+](C)(C)C)P([O-])(OC[C@@]([C@@](/C=C/CCCCCCCCCCCCC)(O)[H])(NC(CCCCCCCCCCC)=O)[H])=O
ChEBI Ontology
Outgoing SM(d18:1/12:0) (CHEBI:137334) is a sphingomyelin 30:1 (CHEBI:72505)
Incoming N-lauroyl-sphingosine-1,3-cyclophosphate(1−) (CHEBI:143884) has functional parent SM(d18:1/12:0) (CHEBI:137334)
Synonyms Sources
N-(dodecanoyl)-sphing-4-enine-1-phosphocholine UniProt
N-(dodecanoyl)-sphing-4-enine-1-phosphocholine LIPID MAPS
N-lauroyl-D-erythro-Sphingosylphosphoryl choline LIPID MAPS
Manual Xrefs Databases
HMDB0012096 HMDB
LMSP03010002 LIPID MAPS
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Last Modified
12 June 2019