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CHEBI:188012 - 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol

ChEBI IDCHEBI:188012
ChEBI Name1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H76O11
Net Charge0
Average Mass817.114
Monoisotopic Mass816.53876
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CO[C@H]1O[C@H](C(=O)O)[C@@H](O)C(O)C1O
InChIInChI=1S/C47H76O11/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)57-39(38-56-47-44(52)42(50)43(51)45(58-47)46(53)54)37-55-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42-45,47,50-52H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43+,44?,45+,47+/m1/s1
InChIKeyKVVKZHYWJIKDEI-ZEPDRRQFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol (CHEBI:188012) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMGL05010002LIPID MAPS
24822177ChemSpider