EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198190 - Rs-DPLA

ChEBI IDCHEBI:198190
ChEBI NameRs-DPLA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H136N2O24P2
Net Charge0
Average Mass1499.840
Monoisotopic Mass1498.89583
SMILESCCCCCC/C=C/CCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NC1C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(=O)CCCCCCCCCCC)C(OC(=O)C[C@H](O)CCCCCCC)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)C[C@H](O)CCCCCCC
InChIInChI=1S/C74H136N2O24P2/c1-6-11-16-21-24-27-28-31-34-39-44-49-64(83)94-59(48-43-38-33-30-26-23-18-13-8-3)53-63(82)76-68-72(98-66(85)52-58(80)47-41-36-20-15-10-5)70(99-101(87,88)89)60(54-77)95-73(68)93-55-61-69(86)71(97-65(84)51-57(79)46-40-35-19-14-9-4)67(74(96-61)100-102(90,91)92)75-62(81)50-56(78)45-42-37-32-29-25-22-17-12-7-2/h27-28,57-61,67-74,77,79-80,86H,6-26,29-55H2,1-5H3,(H,75,81)(H,76,82)(H2,87,88,89)(H2,90,91,92)/b28-27+/t57-,58-,59-,60?,61?,67?,68?,69?,70?,71?,72?,73?,74?/m1/s1
InChIKeyYZTDLNWTOMVTAF-UYRWMZTDSA-N
Species of MetaboliteComponentSourceComments
Cereibacterspeciesaeroides (ncbitaxon:1063) - PubMed (1987057)
ChEBI Ontology
Outgoing Relation(s)
Rs-DPLA (CHEBI:198190) is a amino sugar (CHEBI:28963)
IUPAC Name 
[(3R)-1-[[4-[(3R)-3-hydroxydecanoyl]oxy-2-[[3-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] (E)-tetradec-7-enoate
Manual XrefsDatabases
78443726ChemSpider