CHEBI:207202 - SNAC

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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 SNAC
ChEBI ID CHEBI:207202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H27NO4S
Net Charge 0
Average Mass 329.460
Monoisotopic Mass 329.16608
InChI InChI=1S/C16H27NO4S/c1-13(18)7-6-9-15(20)8-4-3-5-10-16(21)22-12-11-17-14(2)19/h5-6,9-10,13,15,18,20H,3-4,7-8,11-12H2,1-2H3,(H,17,19)/b9-6+,10-5+/t13?,15-/m0/s1
InChIKey WWHBTBOQYHCJSL-IOCNHGJHSA-N
SMILES S(C(=O)/C=C/CCC[C@H](O)/C=C/CC(O)C)CCNC(=O)C
ChEBI Ontology
Outgoing SNAC (CHEBI:207202) is a thioester (CHEBI:51277)
IUPAC Name
S-(2-acetamidoethyl) (2E,7S,8E)-7,11-dihydroxydodeca-2,8-dienethioate
Manual Xref Database
78442756 ChemSpider
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