CHEBI:183030 - SQMG(16:1(9Z)/0:0)

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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 SQMG(16:1(9Z)/0:0)
ChEBI ID CHEBI:183030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H46O11S
Net Charge 0
Average Mass 554.690
Monoisotopic Mass 554.27608
InChI InChI=1S/C25H46O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)34-16-19(26)17-35-25-24(30)23(29)22(28)20(36-25)18-37(31,32)33/h7-8,19-20,22-26,28-30H,2-6,9-18H2,1H3,(H,31,32,33)/b8-7-/t19-,20-,22-,23?,24?,25+/m1/s1
InChIKey OGARSMGVMPSJRA-FEASXFNBSA-N
SMILES S(O)(=O)(=O)C[C@H]1O[C@H](OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCC)C(O)C(O)[C@@H]1O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in Esophagus (BTO:0000959). See: MetaboLights Study
ChEBI Ontology
Outgoing SQMG(16:1(9Z)/0:0) (CHEBI:183030) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name
[(2S,3S,6S)-6-[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulonic acid
Manual Xrefs Databases
24881977 ChemSpider
LMGL04010002 LIPID MAPS
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