CHEBI:172798 - Gingerglycolipid C

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 Gingerglycolipid C
ChEBI ID CHEBI:172798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H60O14
Net Charge 0
Average Mass 680.829
Monoisotopic Mass 680.39831
InChI InChI=1S/C33H60O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h9-10,22-24,26-35,37-42H,2-8,11-21H2,1H3/b10-9+/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey VROZOADUAPWACT-SEALLASQSA-N
SMILES O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H](O)COC(=O)CCCCCCC/C=C/CCCCCCCC)CO[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Gingerglycolipid C (CHEBI:172798) is a galactosylglycerol derivative (CHEBI:63425)
IUPAC Name
[(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (E)-octadec-9-enoate