CHEBI:169570 - N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate

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ChEBI Name N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate
ChEBI ID CHEBI:169570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H65NO5S
Net Charge 0
Average Mass 599.960
Monoisotopic Mass 599.45835
InChI InChI=1S/C34H65NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h26-29,32-33,36H,3-25,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b28-26+,29-27+/t32-,33+/m0/s1
InChIKey FPTGOQRFJXQGQS-SAWZVONUSA-N
SMILES S(O)(=O)(=O)C[C@H](NC(=O)C\C=C\CCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate (CHEBI:169570) is a fatty amide (CHEBI:29348)
IUPAC Name
(E,2R,3R)-2-[[(E)-hexadec-3-enoyl]amino]-3-hydroxyoctadec-4-ene-1-sulonic acid
Manual Xrefs Databases
24823203 ChemSpider
LMSP00000003 LIPID MAPS
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