CHEBI:168185 - Gingerglycolipid A

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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 Gingerglycolipid A
ChEBI ID CHEBI:168185
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H56O14
Net Charge 0
Average Mass 676.797
Monoisotopic Mass 676.36701
InChI InChI=1S/C33H56O14/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/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey MPSGDHOYFIUPSO-MDAKJLGTSA-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\C/C=C\C/C=C\CC)CO[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
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 Gingerglycolipid A (CHEBI:168185) 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] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual Xref Database
8525018 ChemSpider
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