CHEBI:172800 - AS 1-1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 AS 1-1
ChEBI ID CHEBI:172800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H71NO9
Net Charge 0
Average Mass 685.984
Monoisotopic Mass 685.51288
InChI InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17-,26-24-
InChIKey DSCPFMRUDHIMNW-RBIAQBDQSA-N
SMILES O1C(C(O)C(O)C(O)C1OCC(NC(=O)C(O)CCCCCCCCCCCC)C(O)/C=C\CC/C=C\CCCCCCCCC)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing AS 1-1 (CHEBI:172800) is a glycosylceramide (CHEBI:62941)
IUPAC Name
2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]tetradecanamide
Manual Xref Database
HMDB0032794 HMDB
View more database links