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CHEBI:185310 - N-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidic acid

ChEBI IDCHEBI:185310
ChEBI NameN-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H100NO13P
Net Charge0
Average Mass954.318
Monoisotopic Mass953.69323
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)
InChIKeyPMXMKGYRVPAIJJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
N-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidic acid (CHEBI:185310) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[3,4-dihydroxy-2-(2-hydroxyhexacosanoylamino)octadecyl] (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
Manual XrefsDatabases
24765754ChemSpider
HMDB0012237HMDB